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

Systemtic Name: N-[4-(3-methylphenyl)phenyl]-1-(1-oxidanidylpyridin-1-ium-4-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-[4-(m-tolyl)phenyl]-1-(1-oxidopyridin-1-ium-4-carbonyl)piperidine-4-carboxamide CAS Name: N-[4-(3-methylphenyl)phenyl]-1-[(1-oxido-4-pyridin-1-iumyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-[4-(3-methylphenyl)phenyl]-1-(1-oxidopyridin-1-ium-4-carbonyl)piperidine-4-carboxamide Traditional Name: N-[4-(m-tolyl)phenyl]-1-(1-oxidopyridin-1-ium-4-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=CC=[N+](C=C4)[O-]

Isomeric SMILES

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

InChI

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