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

Systemtic Name: 2-(3H-1,3-benzothiazol-2-ylidene)-4-(4-methylpiperazine-1,4-diium-1-yl)-3-oxidanylidene-butanenitrile Openeye Name: 2-(3H-1,3-benzothiazol-2-ylidene)-4-(4-methylpiperazine-1,4-diium-1-yl)-3-oxo-butanenitrile CAS Name: 2-(3H-1,3-benzothiazol-2-ylidene)-4-(4-methyl-1-piperazine-1,4-diiumyl)-3-oxobutanenitrile IUPAC Name: 2-(3H-1,3-benzothiazol-2-ylidene)-4-(4-methylpiperazine-1,4-diium-1-yl)-3-oxobutanenitrile Traditional Name: 2-(3H-1,3-benzothiazol-2-ylidene)-3-keto-4-(4-methylpiperazine-1,4-diium-1-yl)butyronitrile Formula: C16H20N4OS+2 MolecularWeight: 316.4212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC(=O)C(=C2NC3=CC=CC=C3S2)C#N

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC(=O)C(=C2NC3=CC=CC=C3S2)C#N

InChI

InChI=1S/C16H18N4OS/c1-19-6-8-20(9-7-19)11-14(21)12(10-17)16-18-13-4-2-3-5-15(13)22-16/h2-5,18H,6-9,11H2,1H3/p+2