(3R)-N-methyl-1-[(4-methylsulfanylphenyl)methyl]-N-(phenylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-N-methyl-1-[(4-methylsulfanylphenyl)methyl]-N-(phenylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3R)-N-benzyl-N-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-N-methyl-1-[[4-(methylthio)phenyl]methyl]-N-(phenylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-N-benzyl-N-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-N-benzyl-N-methyl-1-[4-(methylthio)benzyl]piperidin-1-ium-3-carboxamide Formula: C22H29N2OS+ MolecularWeight: 369.54346

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2CCC[NH+](C2)CC3=CC=C(C=C3)SC

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)[C@@H]2CCC[NH+](C2)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C22H28N2OS/c1-23(15-18-7-4-3-5-8-18)22(25)20-9-6-14-24(17-20)16-19-10-12-21(26-2)13-11-19/h3-5,7-8,10-13,20H,6,9,14-17H2,1-2H3/p+1/t20-/m1/s1