2-[[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]methyl]-5,6-dimethyl-3-oxidanylidene-pyridazine-4-carbonitrile

Systemtic Name: 2-[[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]methyl]-5,6-dimethyl-3-oxidanylidene-pyridazine-4-carbonitrile Openeye Name: 2-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-5,6-dimethyl-3-oxo-pyridazine-4-carbonitrile CAS Name: 2-[[4-(4-acetylphenyl)-1-piperazin-1-iumyl]methyl]-5,6-dimethyl-3-oxo-4-pyridazinecarbonitrile IUPAC Name: 2-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile Traditional Name: 2-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-3-keto-5,6-dimethyl-pyridazine-4-carbonitrile Formula: C20H24N5O2+ MolecularWeight: 366.43686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C)C[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C)C#N

Isomeric SMILES

CC1=C(C(=O)N(N=C1C)C[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C)C#N

InChI

InChI=1S/C20H23N5O2/c1-14-15(2)22-25(20(27)19(14)12-21)13-23-8-10-24(11-9-23)18-6-4-17(5-7-18)16(3)26/h4-7H,8-11,13H2,1-3H3/p+1