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

Systemtic Name: 2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5,6-dimethyl-3-oxidanylidene-pyridazine-4-carbonitrile Openeye Name: 2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5,6-dimethyl-3-oxo-pyridazine-4-carbonitrile CAS Name: 2-[[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5,6-dimethyl-3-oxo-4-pyridazinecarbonitrile IUPAC Name: 2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile Traditional Name: 3-keto-2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5,6-dimethyl-pyridazine-4-carbonitrile Formula: C19H24N5O4S+ MolecularWeight: 418.48996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O4S/c1-14-15(2)21-24(19(25)18(14)12-20)13-22-8-10-23(11-9-22)29(26,27)17-6-4-16(28-3)5-7-17/h4-7H,8-11,13H2,1-3H3/p+1