기본 정보
- CAS
101311-12-0- 표준 SMILES
C=C[C@H]1C[N@+]2(Cc3ccc(C(F)(F)F)cc3)CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccccc12.[Br-]- InChIKey
LOCWWLLFHKDFLF-DBFYQPEVSA-M- 분자식
- C27H28BrF3N2O
- 평균 분자량
- 533.4 g/mol
이름 및 식별자
- 우선 이름
- (1S,2S,4S,5R)-2-((R)-Hydroxy(quinolin-4-yl)methyl)-1-(4-(trifluoromethyl)benzyl)-5-vinylquinuclidin-1-ium bromide
- IUPAC
- (R)-[(1S,2S,4S,5R)-5-ethenyl-1-[[4-(trifluoromethyl)phenyl]methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol bromide
- 영어명
- (1S,2S,4S,5S)-2-((R)-Hydroxy(Quinolin-4-Yl)Methyl)-1-(4-(Trifluoromethyl)Benzyl)-5-Vinylquinuclidin-1-Ium Bromide(WXC02411)
- 분자식
- C27H28F3N2O.Br
- 분자량
- 533.42
이름 및 동의어
101311-12-0(1S,2S,4S,5R)-2-((R)-Hydroxy(quinolin-4-yl)methyl)-1-(4-(trifluoromethyl)benzyl)-5-vinylquinuclidin-1-ium bromide(1S,2S,4S,5R)-2-[(R)-Hydroxy(quinolin-4-yl)methyl]-1-[4-(trifluoromethyl)benzyl]-5-vinylquinuclidin-1-ium BromideMFCD30342222SY517863(1S,2S,4S,5R)-2-((R)-Hydroxy(quinolin-4-yl)methyl)-1-(4-(trifluoromethyl)benzyl)-5-vinylquinuclidin-1-iumbromide(R)-[(1S,2S,4S,5R)-5-Ethenyl-1-[[4-(trifluoromethyl)phenyl]methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;bromide(9R)-1-[[4-trifluoromethylphenyl]methyl]-9-hydroxy-cinchonanium Bromide(1S,2S,4S,5S)-2-((R)-HYDROXY(QUINOLIN-4-YL)METHYL)-1-(4-(TRIFLUOROMETHYL)BENZYL)-5-VINYLQUINUCLIDIN-1-IUM BROMIDE(1S,2S,4S,5S)-2-((R)-Hydroxy(Quinolin-4-Yl)Methyl)-1-(4-(Trifluoromethyl)Benzyl)-5-Vinylquinuclidin-1-Ium Bromide(WXC02411)
데이터베이스 식별자
- CAS
101311-12-0
물성
구조 계산 물성
- 극성 표면적
- 33.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 691
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