N-[[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide

Systemtic Name: N-[[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide Openeye Name: N-[[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide CAS Name: N-[[(3R)-1-[[3-(methylthio)phenyl]methyl]-3-piperidin-1-iumyl]methyl]-1H-indole-2-carboxamide IUPAC Name: N-[[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide Traditional Name: N-[[(3R)-1-[3-(methylthio)benzyl]piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide Formula: C23H28N3OS+ MolecularWeight: 394.55292

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)C[NH+]2CCCC(C2)CNC(=O)C3=CC4=CC=CC=C4N3

Isomeric SMILES

CSC1=CC=CC(=C1)C[NH+]2CCC[C@@H](C2)CNC(=O)C3=CC4=CC=CC=C4N3

InChI

InChI=1S/C23H27N3OS/c1-28-20-9-4-6-17(12-20)15-26-11-5-7-18(16-26)14-24-23(27)22-13-19-8-2-3-10-21(19)25-22/h2-4,6,8-10,12-13,18,25H,5,7,11,14-16H2,1H3,(H,24,27)/p+1/t18-/m1/s1