1-(4-chlorophenyl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]cyclobutane-1-carboxamide

Systemtic Name: 1-(4-chlorophenyl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]cyclobutane-1-carboxamide Openeye Name: 1-(4-chlorophenyl)-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]cyclobutanecarboxamide CAS Name: 1-(4-chlorophenyl)-N-[(3S)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]-1-cyclobutanecarboxamide IUPAC Name: 1-(4-chlorophenyl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]cyclobutane-1-carboxamide Traditional Name: 1-(4-chlorophenyl)-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]cyclobutanecarboxamide Formula: C22H27ClN3O+ MolecularWeight: 384.92228

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=N2)NC(=O)C3(CCC3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=N2)NC(=O)C3(CCC3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H26ClN3O/c23-18-9-7-17(8-10-18)22(11-4-12-22)21(27)25-20-6-3-14-26(16-20)15-19-5-1-2-13-24-19/h1-2,5,7-10,13,20H,3-4,6,11-12,14-16H2,(H,25,27)/p+1/t20-/m0/s1