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

Systemtic Name: (3R)-N,N-diethyl-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-N,N-diethyl-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-N,N-diethyl-1-[[4-(methylthio)phenyl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-N,N-diethyl-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-N,N-diethyl-1-[4-(methylthio)benzyl]piperidin-1-ium-3-carboxamide Formula: C18H29N2OS+ MolecularWeight: 321.50066

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCC[NH+](C1)CC2=CC=C(C=C2)SC

Isomeric SMILES

CCN(CC)C(=O)[C@@H]1CCC[NH+](C1)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C18H28N2OS/c1-4-20(5-2)18(21)16-7-6-12-19(14-16)13-15-8-10-17(22-3)11-9-15/h8-11,16H,4-7,12-14H2,1-3H3/p+1/t16-/m1/s1