(3S)-N-methyl-1-[(4-methylsulfanylphenyl)methyl]-N-(2-pyridin-2-ylethyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-methyl-1-[(4-methylsulfanylphenyl)methyl]-N-(2-pyridin-2-ylethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-methyl-1-[(4-methylsulfanylphenyl)methyl]-N-[2-(2-pyridyl)ethyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-methyl-1-[[4-(methylthio)phenyl]methyl]-N-[2-(2-pyridinyl)ethyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-methyl-1-[(4-methylsulfanylphenyl)methyl]-N-(2-pyridin-2-ylethyl)piperidin-1-ium-3-amine Traditional Name: methyl-[(3S)-1-[4-(methylthio)benzyl]piperidin-1-ium-3-yl]-[2-(2-pyridyl)ethyl]amine Formula: C21H30N3S+ MolecularWeight: 356.548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=N1)C2CCC[NH+](C2)CC3=CC=C(C=C3)SC

Isomeric SMILES

CN(CCC1=CC=CC=N1)[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C21H29N3S/c1-23(15-12-19-6-3-4-13-22-19)20-7-5-14-24(17-20)16-18-8-10-21(25-2)11-9-18/h3-4,6,8-11,13,20H,5,7,12,14-17H2,1-2H3/p+1/t20-/m0/s1