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

Systemtic Name: 5,6-dimethyl-2-[[4-[2-(4-methyl-1,3-thiazol-2-yl)ethanoyl]piperazin-1-ium-1-yl]methyl]-3-oxidanylidene-pyridazine-4-carbonitrile Openeye Name: 5,6-dimethyl-2-[[4-[2-(4-methylthiazol-2-yl)acetyl]piperazin-1-ium-1-yl]methyl]-3-oxo-pyridazine-4-carbonitrile CAS Name: 5,6-dimethyl-2-[[4-[2-(4-methyl-2-thiazolyl)-1-oxoethyl]-1-piperazin-1-iumyl]methyl]-3-oxo-4-pyridazinecarbonitrile IUPAC Name: 5,6-dimethyl-2-[[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-ium-1-yl]methyl]-3-oxopyridazine-4-carbonitrile Traditional Name: 3-keto-5,6-dimethyl-2-[[4-[2-(4-methylthiazol-2-yl)acetyl]piperazin-1-ium-1-yl]methyl]pyridazine-4-carbonitrile Formula: C18H23N6O2S+ MolecularWeight: 387.47922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)CC(=O)N2CC[NH+](CC2)CN3C(=O)C(=C(C(=N3)C)C)C#N

Isomeric SMILES

CC1=CSC(=N1)CC(=O)N2CC[NH+](CC2)CN3C(=O)C(=C(C(=N3)C)C)C#N

InChI

InChI=1S/C18H22N6O2S/c1-12-10-27-16(20-12)8-17(25)23-6-4-22(5-7-23)11-24-18(26)15(9-19)13(2)14(3)21-24/h10H,4-8,11H2,1-3H3/p+1