1-(4-chlorophenyl)-N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]methyl]cyclopropane-1-carboxamide

Systemtic Name: 1-(4-chlorophenyl)-N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]methyl]cyclopropane-1-carboxamide Openeye Name: 1-(4-chlorophenyl)-N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]methyl]cyclopropanecarboxamide CAS Name: 1-(4-chlorophenyl)-N-[[(3R)-1-[3-(methylthio)propyl]-3-piperidin-1-iumyl]methyl]-1-cyclopropanecarboxamide IUPAC Name: 1-(4-chlorophenyl)-N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]methyl]cyclopropane-1-carboxamide Traditional Name: 1-(4-chlorophenyl)-N-[[(3R)-1-[3-(methylthio)propyl]piperidin-1-ium-3-yl]methyl]cyclopropanecarboxamide Formula: C20H30ClN2OS+ MolecularWeight: 381.983

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC[NH+]1CCCC(C1)CNC(=O)C2(CC2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CSCCC[NH+]1CCC[C@@H](C1)CNC(=O)C2(CC2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H29ClN2OS/c1-25-13-3-12-23-11-2-4-16(15-23)14-22-19(24)20(9-10-20)17-5-7-18(21)8-6-17/h5-8,16H,2-4,9-15H2,1H3,(H,22,24)/p+1/t16-/m1/s1