N-[4-(3-methylphenyl)phenyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-[4-(3-methylphenyl)phenyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-[4-(m-tolyl)phenyl]-1-(2-pyridylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-[4-(3-methylphenyl)phenyl]-1-(2-pyridinylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(3-methylphenyl)phenyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: N-[4-(m-tolyl)phenyl]-1-(2-pyridylmethyl)piperidin-1-ium-4-carboxamide Formula: C25H28N3O+ MolecularWeight: 386.50932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)C3CC[NH+](CC3)CC4=CC=CC=N4

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)C3CC[NH+](CC3)CC4=CC=CC=N4

InChI

InChI=1S/C25H27N3O/c1-19-5-4-6-22(17-19)20-8-10-23(11-9-20)27-25(29)21-12-15-28(16-13-21)18-24-7-2-3-14-26-24/h2-11,14,17,21H,12-13,15-16,18H2,1H3,(H,27,29)/p+1