[(3S)-1-(1H-indol-3-ylmethyl)piperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone

Systemtic Name: [(3S)-1-(1H-indol-3-ylmethyl)piperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone Openeye Name: [(3S)-1-(1H-indol-3-ylmethyl)piperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone CAS Name: [(3S)-1-(1H-indol-3-ylmethyl)-3-piperidin-1-iumyl]-[2-(methylthio)phenyl]methanone IUPAC Name: [(3S)-1-(1H-indol-3-ylmethyl)piperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone Traditional Name: [(3S)-1-(1H-indol-3-ylmethyl)piperidin-1-ium-3-yl]-[2-(methylthio)phenyl]methanone Formula: C22H25N2OS+ MolecularWeight: 365.5117

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)C2CCC[NH+](C2)CC3=CNC4=CC=CC=C43

Isomeric SMILES

CSC1=CC=CC=C1C(=O)[C@H]2CCC[NH+](C2)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H24N2OS/c1-26-21-11-5-3-9-19(21)22(25)16-7-6-12-24(14-16)15-17-13-23-20-10-4-2-8-18(17)20/h2-5,8-11,13,16,23H,6-7,12,14-15H2,1H3/p+1/t16-/m0/s1