(2S)-6-(1H-indol-2-ylmethyl)-N-(4-methylsulfanylphenyl)-6-azoniaspiro[2.5]octane-2-carboxamide

Systemtic Name: (2S)-6-(1H-indol-2-ylmethyl)-N-(4-methylsulfanylphenyl)-6-azoniaspiro[2.5]octane-2-carboxamide Openeye Name: (2S)-6-(1H-indol-2-ylmethyl)-N-(4-methylsulfanylphenyl)-6-azoniaspiro[2.5]octane-2-carboxamide CAS Name: (2S)-6-(1H-indol-2-ylmethyl)-N-[4-(methylthio)phenyl]-6-azoniaspiro[2.5]octane-2-carboxamide IUPAC Name: (2S)-6-(1H-indol-2-ylmethyl)-N-(4-methylsulfanylphenyl)-6-azoniaspiro[2.5]octane-2-carboxamide Traditional Name: (2S)-6-(1H-indol-2-ylmethyl)-N-[4-(methylthio)phenyl]-6-azoniaspiro[2.5]octane-2-carboxamide Formula: C24H28N3OS+ MolecularWeight: 406.56362

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)C2CC23CC[NH+](CC3)CC4=CC5=CC=CC=C5N4

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)[C@H]2CC23CC[NH+](CC3)CC4=CC5=CC=CC=C5N4

InChI

InChI=1S/C24H27N3OS/c1-29-20-8-6-18(7-9-20)26-23(28)21-15-24(21)10-12-27(13-11-24)16-19-14-17-4-2-3-5-22(17)25-19/h2-9,14,21,25H,10-13,15-16H2,1H3,(H,26,28)/p+1/t21-/m1/s1