1-methyl-2-oxidanylidene-N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]pyridine-4-carboxamide

Systemtic Name: 1-methyl-2-oxidanylidene-N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]pyridine-4-carboxamide Openeye Name: 1-methyl-2-oxo-N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]pyridine-4-carboxamide CAS Name: 1-methyl-2-oxo-N-[[2-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]phenyl]methyl]-4-pyridinecarboxamide IUPAC Name: 1-methyl-2-oxo-N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]pyridine-4-carboxamide Traditional Name: 2-keto-1-methyl-N-[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzyl]isonicotinamide Formula: C25H28N3O2+ MolecularWeight: 402.50872

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=CC1=O)C(=O)NCC2=CC=CC=C2C3=CC=C(C=C3)C[NH+]4CCCC4

Isomeric SMILES

CN1C=CC(=CC1=O)C(=O)NCC2=CC=CC=C2C3=CC=C(C=C3)C[NH+]4CCCC4

InChI

InChI=1S/C25H27N3O2/c1-27-15-12-21(16-24(27)29)25(30)26-17-22-6-2-3-7-23(22)20-10-8-19(9-11-20)18-28-13-4-5-14-28/h2-3,6-12,15-16H,4-5,13-14,17-18H2,1H3,(H,26,30)/p+1