9-chloro-1,2-dihydro-4-hydroxy-1-methyl-2-oxo-3-phenyl-6H-pyrimido[2,1-a]isoindol-5-ium hydroxide

HCID 178479890

기본 정보

표준 SMILES
Cn1c2[n+](c(O)c(-c3ccccc3)c1=O)Cc1ccc(Cl)cc1-2.[OH-]
InChIKey
IHGDNZJUNIUINK-UHFFFAOYSA-N
분자식
C18H15ClN2O3
평균 분자량
342.8 g/mol
단동위원소 질량
342.07712

이름 및 식별자

우선 이름
9-chloro-1,2-dihydro-4-hydroxy-1-methyl-2-oxo-3-phenyl-6H-pyrimido[2,1-a]isoindol-5-ium hydroxide
IUPAC
9-chloro-2-hydroxy-1-methyl-3-phenyl-6H-pyrimido[2,1-a]isoindol-1-ium-4-one hydroxide

이름 및 동의어

SCHEMBL9345264IHGDNZJUNIUINK-UHFFFAOYSA-N9-chloro-1,2-dihydro-4-hydroxy-1-methyl-2-oxo-3-phenyl-6 H-pyrimido[2,1-a]isoindol-5-ium hydroxide9-chloro-1,2-dihydro-4-hydroxy-1-methyl-2-oxo-3-phenyl-6H-pyrimido [2,1-a]isoindole-5-ium hydroxide9-chloro-1,2-dihydro-4-hydroxy-1-methyl-2-oxo-3-phenyl-6H-pyrimido[2,1-a]isoindol-5-ium hydroxide9-chloro1, 2-dihydro-4-hydroxy-1-methyl-2-oxo-3-phenyl-6H-pyrimido[2,1-a]isoindol-5-ium hydroxide9-chloro1,2-dihydro-4-hydroxy-1-methyl-2-oxo -3-phenyl-6H-pyrimido[2,1-a]isoindole-5-ium hydroxide

데이터베이스 식별자

PubChem CID
19785461

물성

구조 계산 물성

극성 표면적
44.6 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
3
회전 가능 결합 수
1
무거운 원자 수
24

관련 반응

6건

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