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

Systemtic Name: 5,6-dimethyl-3-oxidanylidene-2-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]pyridazine-4-carbonitrile Openeye Name: 2-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-5,6-dimethyl-3-oxo-pyridazine-4-carbonitrile CAS Name: 2-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-5,6-dimethyl-3-oxo-4-pyridazinecarbonitrile IUPAC Name: 2-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile Traditional Name: 2-[(4-besylpiperazin-1-ium-1-yl)methyl]-3-keto-5,6-dimethyl-pyridazine-4-carbonitrile Formula: C18H22N5O3S+ MolecularWeight: 388.46398

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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=CC=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O3S/c1-14-15(2)20-23(18(24)17(14)12-19)13-21-8-10-22(11-9-21)27(25,26)16-6-4-3-5-7-16/h3-7H,8-11,13H2,1-2H3/p+1