(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-methylpiperidin-1-ium-1-yl)-3-oxidanylidene-butanenitrile

Systemtic Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-methylpiperidin-1-ium-1-yl)-3-oxidanylidene-butanenitrile Openeye Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-methylpiperidin-1-ium-1-yl)-3-oxo-butanenitrile CAS Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-methyl-1-piperidin-1-iumyl)-3-oxobutanenitrile IUPAC Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-methylpiperidin-1-ium-1-yl)-3-oxobutanenitrile Traditional Name: (2Z)-3-keto-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-methylpiperidin-1-ium-1-yl)butyronitrile Formula: C18H22N3OS+ MolecularWeight: 328.45178

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(=O)C(=C2N(C3=CC=CC=C3S2)C)C#N

Isomeric SMILES

CC1CC[NH+](CC1)CC(=O)/C(=C\2/N(C3=CC=CC=C3S2)C)/C#N

InChI

InChI=1S/C18H21N3OS/c1-13-7-9-21(10-8-13)12-16(22)14(11-19)18-20(2)15-5-3-4-6-17(15)23-18/h3-6,13H,7-10,12H2,1-2H3/p+1/b18-14-