1-methyl-N-[[2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methyl]-6-oxidanylidene-pyridazine-3-carboxamide

Systemtic Name: 1-methyl-N-[[2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methyl]-6-oxidanylidene-pyridazine-3-carboxamide Openeye Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-1-methyl-6-oxo-pyridazine-3-carboxamide CAS Name: 1-methyl-N-[[2-[methyl-(phenylmethyl)amino]-3-pyridin-1-iumyl]methyl]-6-oxo-3-pyridazinecarboxamide IUPAC Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-1-methyl-6-oxopyridazine-3-carboxamide Traditional Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-6-keto-1-methyl-pyridazine-3-carboxamide Formula: C20H22N5O2+ MolecularWeight: 364.42098

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=CC(=N1)C(=O)NCC2=C([NH+]=CC=C2)N(C)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C=CC(=N1)C(=O)NCC2=C([NH+]=CC=C2)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C20H21N5O2/c1-24(14-15-7-4-3-5-8-15)19-16(9-6-12-21-19)13-22-20(27)17-10-11-18(26)25(2)23-17/h3-12H,13-14H2,1-2H3,(H,22,27)/p+1