5,6-dimethyl-N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-3-yl]methyl]-2-oxidanylidene-1H-pyridine-3-carboxamide

Systemtic Name: 5,6-dimethyl-N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-3-yl]methyl]-2-oxidanylidene-1H-pyridine-3-carboxamide Openeye Name: 5,6-dimethyl-N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridyl]methyl]-2-oxo-1H-pyridine-3-carboxamide CAS Name: 5,6-dimethyl-N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridinyl]methyl]-2-oxo-1H-pyridine-3-carboxamide IUPAC Name: 5,6-dimethyl-N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide Traditional Name: 2-keto-5,6-dimethyl-N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridyl]methyl]-1H-pyridine-3-carboxamide Formula: C20H28N5O2+ MolecularWeight: 370.46862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=O)C(=C1)C(=O)NCC2=C(N=CC=C2)N3CCC[NH+](CC3)C)C

Isomeric SMILES

CC1=C(NC(=O)C(=C1)C(=O)NCC2=C(N=CC=C2)N3CCC[NH+](CC3)C)C

InChI

InChI=1S/C20H27N5O2/c1-14-12-17(20(27)23-15(14)2)19(26)22-13-16-6-4-7-21-18(16)25-9-5-8-24(3)10-11-25/h4,6-7,12H,5,8-11,13H2,1-3H3,(H,22,26)(H,23,27)/p+1