1-[(4-methylsulfanylphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(4-methylsulfanylphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-methylsulfanylphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[4-(methylthio)phenyl]methyl]-N-[(1R)-1-phenylethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-methylsulfanylphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[4-(methylthio)benzyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide Formula: C22H29N2OS+ MolecularWeight: 369.54346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)SC

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C22H28N2OS/c1-17(19-6-4-3-5-7-19)23-22(25)20-12-14-24(15-13-20)16-18-8-10-21(26-2)11-9-18/h3-11,17,20H,12-16H2,1-2H3,(H,23,25)/p+1/t17-/m1/s1