(R)-3-(2-Cyclohexyl-2-hydroxy-2-phenyl-acetoxy)-1-(pyrazin-2-ylcarbamoylmethyl)-1-azonia-bicyclo[2.2.2]octane bromide (HCID 11548573)

기본 정보

표준 SMILES: O=C(C[N+]12CCC(CC1)[C@@H](OC(=O)C(O)(c1ccccc1)C1CCCCC1)C2)Nc1cnccn1.[Br-]
InChIKey: VTFGHQOKBDCJRA-WNCQOFSISA-N
분자식: C27H35BrN4O4
평균 분자량: 559.5 g/mol

이름 및 식별자

우선 이름: (R)-3-(2-Cyclohexyl-2-hydroxy-2-phenyl-acetoxy)-1-(pyrazin-2-ylcarbamoylmethyl)-1-azonia-bicyclo[2.2.2]octane bromide
IUPAC: [(3R)-1-[2-oxo-2-(pyrazin-2-ylamino)ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-cyclohexyl-2-hydroxy-2-phenylacetate bromide

이름 및 동의어

SCHEMBL2794864VTFGHQOKBDCJRA-WNCQOFSISA-N(R)-3-(2-Cyclohexyl-2-hydroxy-2-phenyl-acetoxy)-1-(pyrazin-2-ylcarbamoylmethyl)-1-azonia-bicyclo[2.2.2]octane bromide(R)-3-(2-Cyclohexyl-2-hydroxy-2-phenyl-acetoxy)-1-(pyrazin-2-ylcarbamoylmethyl)-azonia-bicyclo[2.2.2]octane bromide

데이터베이스 식별자

PubChem CID: 11548573

물성

구조 계산 물성

극성 표면적: 101 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 7
회전 가능 결합 수: 8
무거운 원자 수: 36
형식 전하: 0
복잡도: 743

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