4-methoxy-1-(2-methylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-pyridazine-3-carboxamide

Systemtic Name: 4-methoxy-1-(2-methylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-pyridazine-3-carboxamide Openeye Name: 4-methoxy-N-(3-morpholin-4-ium-4-ylpropyl)-1-(o-tolyl)-6-oxo-pyridazine-3-carboxamide CAS Name: 4-methoxy-1-(2-methylphenyl)-N-[3-(4-morpholin-4-iumyl)propyl]-6-oxo-3-pyridazinecarboxamide IUPAC Name: 4-methoxy-1-(2-methylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-6-oxopyridazine-3-carboxamide Traditional Name: 6-keto-4-methoxy-N-(3-morpholin-4-ium-4-ylpropyl)-1-(o-tolyl)pyridazine-3-carboxamide Formula: C20H27N4O4+ MolecularWeight: 387.45278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C=C(C(=N2)C(=O)NCCC[NH+]3CCOCC3)OC

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C=C(C(=N2)C(=O)NCCC[NH+]3CCOCC3)OC

InChI

InChI=1S/C20H26N4O4/c1-15-6-3-4-7-16(15)24-18(25)14-17(27-2)19(22-24)20(26)21-8-5-9-23-10-12-28-13-11-23/h3-4,6-7,14H,5,8-13H2,1-2H3,(H,21,26)/p+1