N-[4-(3-methylphenyl)phenyl]-1-(1-oxidanidylpyridin-1-ium-3-yl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-(3-methylphenyl)phenyl]-1-(1-oxidanidylpyridin-1-ium-3-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-[4-(m-tolyl)phenyl]-1-(1-oxidopyridin-1-ium-3-carbonyl)piperidine-4-carboxamide CAS Name: N-[4-(3-methylphenyl)phenyl]-1-[(1-oxido-3-pyridin-1-iumyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-[4-(3-methylphenyl)phenyl]-1-(1-oxidopyridin-1-ium-3-carbonyl)piperidine-4-carboxamide Traditional Name: N-[4-(m-tolyl)phenyl]-1-(1-oxidopyridin-1-ium-3-carbonyl)isonipecotamide Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C4=C[N+](=CC=C4)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C4=C[N+](=CC=C4)[O-]

InChI

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