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

Systemtic Name: 1-(4-chlorophenyl)-N-[[(3R)-1-(thian-4-yl)piperidin-1-ium-3-yl]methyl]cyclopropane-1-carboxamide Openeye Name: 1-(4-chlorophenyl)-N-[[(3R)-1-tetrahydrothiopyran-4-ylpiperidin-1-ium-3-yl]methyl]cyclopropanecarboxamide CAS Name: 1-(4-chlorophenyl)-N-[[(3R)-1-(4-thianyl)-3-piperidin-1-iumyl]methyl]-1-cyclopropanecarboxamide IUPAC Name: 1-(4-chlorophenyl)-N-[[(3R)-1-(thian-4-yl)piperidin-1-ium-3-yl]methyl]cyclopropane-1-carboxamide Traditional Name: 1-(4-chlorophenyl)-N-[[(3R)-1-tetrahydrothiopyran-4-ylpiperidin-1-ium-3-yl]methyl]cyclopropanecarboxamide Formula: C21H30ClN2OS+ MolecularWeight: 393.9937

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCSCC2)CNC(=O)C3(CC3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCSCC2)CNC(=O)C3(CC3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H29ClN2OS/c22-18-5-3-17(4-6-18)21(9-10-21)20(25)23-14-16-2-1-11-24(15-16)19-7-12-26-13-8-19/h3-6,16,19H,1-2,7-15H2,(H,23,25)/p+1/t16-/m1/s1