2-[3-[[(3S)-3-(4-methylsulfanylphenyl)carbonylpiperidin-1-ium-1-yl]methyl]indol-1-yl]ethanamide

Systemtic Name: 2-[3-[[(3S)-3-(4-methylsulfanylphenyl)carbonylpiperidin-1-ium-1-yl]methyl]indol-1-yl]ethanamide Openeye Name: 2-[3-[[(3S)-3-(4-methylsulfanylbenzoyl)piperidin-1-ium-1-yl]methyl]indol-1-yl]acetamide CAS Name: 2-[3-[[(3S)-3-[[4-(methylthio)phenyl]-oxomethyl]-1-piperidin-1-iumyl]methyl]-1-indolyl]acetamide IUPAC Name: 2-[3-[[(3S)-3-(4-methylsulfanylbenzoyl)piperidin-1-ium-1-yl]methyl]indol-1-yl]acetamide Traditional Name: 2-[3-[[(3S)-3-[4-(methylthio)benzoyl]piperidin-1-ium-1-yl]methyl]indol-1-yl]acetamide Formula: C24H28N3O2S+ MolecularWeight: 422.56302

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)C2CCC[NH+](C2)CC3=CN(C4=CC=CC=C43)CC(=O)N

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CN(C4=CC=CC=C43)CC(=O)N

InChI

InChI=1S/C24H27N3O2S/c1-30-20-10-8-17(9-11-20)24(29)18-5-4-12-26(13-18)14-19-15-27(16-23(25)28)22-7-3-2-6-21(19)22/h2-3,6-11,15,18H,4-5,12-14,16H2,1H3,(H2,25,28)/p+1/t18-/m0/s1