1-(2,5-dimethylphenyl)-6-oxidanylidene-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-4,5-dihydropyridazine-3-carboxamide

Systemtic Name: 1-(2,5-dimethylphenyl)-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-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide CAS Name: 1-(2,5-dimethylphenyl)-6-oxo-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4,5-dihydropyridazine-3-carboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-(2,5-dimethylphenyl)-6-keto-4,5-dihydropyridazine-3-carboxamide Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O2/c1-18-8-9-19(2)23(16-18)29-24(30)11-10-22(27-29)25(31)26-21-12-14-28(15-13-21)17-20-6-4-3-5-7-20/h3-9,16,21H,10-15,17H2,1-2H3,(H,26,31)/p+1