N-[3-(3-methylphenyl)phenyl]-1-(1-oxidanidylpyridin-1-ium-3-yl)carbonyl-piperidine-3-carboxamide

Systemtic Name: N-[3-(3-methylphenyl)phenyl]-1-(1-oxidanidylpyridin-1-ium-3-yl)carbonyl-piperidine-3-carboxamide Openeye Name: N-[3-(m-tolyl)phenyl]-1-(1-oxidopyridin-1-ium-3-carbonyl)piperidine-3-carboxamide CAS Name: N-[3-(3-methylphenyl)phenyl]-1-[(1-oxido-3-pyridin-1-iumyl)-oxomethyl]-3-piperidinecarboxamide IUPAC Name: N-[3-(3-methylphenyl)phenyl]-1-(1-oxidopyridin-1-ium-3-carbonyl)piperidine-3-carboxamide Traditional Name: N-[3-(m-tolyl)phenyl]-1-(1-oxidopyridin-1-ium-3-carbonyl)nipecotamide Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC(=CC=C2)NC(=O)C3CCCN(C3)C(=O)C4=C[N+](=CC=C4)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC(=CC=C2)NC(=O)C3CCCN(C3)C(=O)C4=C[N+](=CC=C4)[O-]

InChI

InChI=1S/C25H25N3O3/c1-18-6-2-7-19(14-18)20-8-3-11-23(15-20)26-24(29)21-9-4-12-27(16-21)25(30)22-10-5-13-28(31)17-22/h2-3,5-8,10-11,13-15,17,21H,4,9,12,16H2,1H3,(H,26,29)