1-(3-methylphenyl)-6-oxidanylidene-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-4,5-dihydropyridazine-3-carboxamide

Systemtic Name: 1-(3-methylphenyl)-6-oxidanylidene-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-4,5-dihydropyridazine-3-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-(m-tolyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide CAS Name: 1-(3-methylphenyl)-6-oxo-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4,5-dihydropyridazine-3-carboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-6-keto-1-(m-tolyl)-4,5-dihydropyridazine-3-carboxamide Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)CCC(=N2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)CCC(=N2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N4O2/c1-18-6-5-9-21(16-18)28-23(29)11-10-22(26-28)24(30)25-20-12-14-27(15-13-20)17-19-7-3-2-4-8-19/h2-9,16,20H,10-15,17H2,1H3,(H,25,30)/p+1