(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-methylpiperazine-1,4-diium-1-yl)-3-oxidanylidene-butanenitrile

Systemtic Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-methylpiperazine-1,4-diium-1-yl)-3-oxidanylidene-butanenitrile Openeye Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-methylpiperazine-1,4-diium-1-yl)-3-oxo-butanenitrile CAS Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-methyl-1-piperazine-1,4-diiumyl)-3-oxobutanenitrile IUPAC Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-methylpiperazine-1,4-diium-1-yl)-3-oxobutanenitrile Traditional Name: (2Z)-3-keto-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-methylpiperazine-1,4-diium-1-yl)butyronitrile Formula: C17H22N4OS+2 MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC(=O)C(=C2N(C3=CC=CC=C3S2)C)C#N

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC(=O)/C(=C\2/N(C3=CC=CC=C3S2)C)/C#N

InChI

InChI=1S/C17H20N4OS/c1-19-7-9-21(10-8-19)12-15(22)13(11-18)17-20(2)14-5-3-4-6-16(14)23-17/h3-6H,7-10,12H2,1-2H3/p+2/b17-13-