(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-3-oxidanylidene-butanenitrile

Systemtic Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-3-oxidanylidene-butanenitrile Openeye Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-[4-(o-tolyl)piperazin-1-ium-1-yl]-3-oxo-butanenitrile CAS Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-3-oxobutanenitrile IUPAC Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-3-oxobutanenitrile Traditional Name: (2Z)-3-keto-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-[4-(o-tolyl)piperazin-1-ium-1-yl]butyronitrile Formula: C23H25N4OS+ MolecularWeight: 405.5358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)C(=C3N(C4=CC=CC=C4S3)C)C#N

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)/C(=C\3/N(C4=CC=CC=C4S3)C)/C#N

InChI

InChI=1S/C23H24N4OS/c1-17-7-3-4-8-19(17)27-13-11-26(12-14-27)16-21(28)18(15-24)23-25(2)20-9-5-6-10-22(20)29-23/h3-10H,11-14,16H2,1-2H3/p+1/b23-18-