(2S)-N-(4-methylsulfanylphenyl)-6-(quinolin-4-ylmethyl)-6-azoniaspiro[2.5]octane-2-carboxamide

Systemtic Name: (2S)-N-(4-methylsulfanylphenyl)-6-(quinolin-4-ylmethyl)-6-azoniaspiro[2.5]octane-2-carboxamide Openeye Name: (2S)-N-(4-methylsulfanylphenyl)-6-(4-quinolylmethyl)-6-azoniaspiro[2.5]octane-2-carboxamide CAS Name: (2S)-N-[4-(methylthio)phenyl]-6-(4-quinolinylmethyl)-6-azoniaspiro[2.5]octane-2-carboxamide IUPAC Name: (2S)-N-(4-methylsulfanylphenyl)-6-(quinolin-4-ylmethyl)-6-azoniaspiro[2.5]octane-2-carboxamide Traditional Name: (2S)-N-[4-(methylthio)phenyl]-6-(4-quinolylmethyl)-6-azoniaspiro[2.5]octane-2-carboxamide Formula: C25H28N3OS+ MolecularWeight: 418.57432

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)C2CC23CC[NH+](CC3)CC4=CC=NC5=CC=CC=C45

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)[C@H]2CC23CC[NH+](CC3)CC4=CC=NC5=CC=CC=C45

InChI

InChI=1S/C25H27N3OS/c1-30-20-8-6-19(7-9-20)27-24(29)22-16-25(22)11-14-28(15-12-25)17-18-10-13-26-23-5-3-2-4-21(18)23/h2-10,13,22H,11-12,14-17H2,1H3,(H,27,29)/p+1/t22-/m1/s1