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

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

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC(=CC=C2)NC(=O)[C@H]3CCCN(C3)C(=O)C4=CC=[N+](C=C4)[O-]

InChI

InChI=1S/C25H25N3O3/c1-18-5-2-6-20(15-18)21-7-3-9-23(16-21)26-24(29)22-8-4-12-27(17-22)25(30)19-10-13-28(31)14-11-19/h2-3,5-7,9-11,13-16,22H,4,8,12,17H2,1H3,(H,26,29)/t22-/m0/s1