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

Systemtic Name: 1-(4-chlorophenyl)-N-[[(3R)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]methyl]cyclopropane-1-carboxamide Openeye Name: 1-(4-chlorophenyl)-N-[[(3R)-1-(4-pyridylmethyl)piperidin-1-ium-3-yl]methyl]cyclopropanecarboxamide CAS Name: 1-(4-chlorophenyl)-N-[[(3R)-1-(pyridin-4-ylmethyl)-3-piperidin-1-iumyl]methyl]-1-cyclopropanecarboxamide IUPAC Name: 1-(4-chlorophenyl)-N-[[(3R)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]methyl]cyclopropane-1-carboxamide Traditional Name: 1-(4-chlorophenyl)-N-[[(3R)-1-(4-pyridylmethyl)piperidin-1-ium-3-yl]methyl]cyclopropanecarboxamide Formula: C22H27ClN3O+ MolecularWeight: 384.92228

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=NC=C2)CNC(=O)C3(CC3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=NC=C2)CNC(=O)C3(CC3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H26ClN3O/c23-20-5-3-19(4-6-20)22(9-10-22)21(27)25-14-18-2-1-13-26(16-18)15-17-7-11-24-12-8-17/h3-8,11-12,18H,1-2,9-10,13-16H2,(H,25,27)/p+1/t18-/m1/s1