1-[(4-methylsulfanylphenyl)methyl]-N-propan-2-yl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(4-methylsulfanylphenyl)methyl]-N-propan-2-yl-piperidin-1-ium-4-carboxamide Openeye Name: N-isopropyl-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[4-(methylthio)phenyl]methyl]-N-propan-2-yl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-methylsulfanylphenyl)methyl]-N-propan-2-ylpiperidin-1-ium-4-carboxamide Traditional Name: N-isopropyl-1-[4-(methylthio)benzyl]piperidin-1-ium-4-carboxamide Formula: C17H27N2OS+ MolecularWeight: 307.47408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1CC[NH+](CC1)CC2=CC=C(C=C2)SC

Isomeric SMILES

CC(C)NC(=O)C1CC[NH+](CC1)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C17H26N2OS/c1-13(2)18-17(20)15-8-10-19(11-9-15)12-14-4-6-16(21-3)7-5-14/h4-7,13,15H,8-12H2,1-3H3,(H,18,20)/p+1