4-[[4-[(1-methyl-6-oxidanylidene-4,5-dihydropyridazin-3-yl)carbonyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(1-methyl-6-oxidanylidene-4,5-dihydropyridazin-3-yl)carbonyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(1-methyl-6-oxo-4,5-dihydropyridazin-3-yl)-oxomethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(6-keto-1-methyl-4,5-dihydropyridazine-3-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C18H22N5O2+ MolecularWeight: 340.39958

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CCC(=N1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CN1C(=O)CCC(=N1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H21N5O2/c1-21-17(24)7-6-16(20-21)18(25)23-10-8-22(9-11-23)13-15-4-2-14(12-19)3-5-15/h2-5H,6-11,13H2,1H3/p+1