N-(2,3-dimethylphenyl)-2-[4-[(1-methyl-6-oxidanylidene-4,5-dihydropyridazin-3-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-[(1-methyl-6-oxidanylidene-4,5-dihydropyridazin-3-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[(1-methyl-6-oxo-4,5-dihydropyridazin-3-yl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-(6-keto-1-methyl-4,5-dihydropyridazine-3-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C20H28N5O3+ MolecularWeight: 386.46802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=NN(C(=O)CC3)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=NN(C(=O)CC3)C)C

InChI

InChI=1S/C20H27N5O3/c1-14-5-4-6-16(15(14)2)21-18(26)13-24-9-11-25(12-10-24)20(28)17-7-8-19(27)23(3)22-17/h4-6H,7-13H2,1-3H3,(H,21,26)/p+1