1-phenyl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]cyclohexane-1-carboxamide

Systemtic Name: 1-phenyl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]cyclohexane-1-carboxamide Openeye Name: 1-phenyl-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]cyclohexanecarboxamide CAS Name: 1-phenyl-N-[(3S)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]-1-cyclohexanecarboxamide IUPAC Name: 1-phenyl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]cyclohexane-1-carboxamide Traditional Name: 1-phenyl-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]cyclohexanecarboxamide Formula: C24H32N3O+ MolecularWeight: 378.53038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C2=CC=CC=C2)C(=O)NC3CCC[NH+](C3)CC4=CC=CC=N4

Isomeric SMILES

C1CCC(CC1)(C2=CC=CC=C2)C(=O)N[C@H]3CCC[NH+](C3)CC4=CC=CC=N4

InChI

InChI=1S/C24H31N3O/c28-23(24(14-6-2-7-15-24)20-10-3-1-4-11-20)26-22-13-9-17-27(19-22)18-21-12-5-8-16-25-21/h1,3-5,8,10-12,16,22H,2,6-7,9,13-15,17-19H2,(H,26,28)/p+1/t22-/m0/s1