2-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-4-(4-phenylpiperazin-1-ium-1-yl)butanenitrile

Systemtic Name: 2-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-4-(4-phenylpiperazin-1-ium-1-yl)butanenitrile Openeye Name: 2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-4-(4-phenylpiperazin-1-ium-1-yl)butanenitrile CAS Name: 2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-4-(4-phenyl-1-piperazin-1-iumyl)butanenitrile IUPAC Name: 2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-4-(4-phenylpiperazin-1-ium-1-yl)butanenitrile Traditional Name: 2-(3H-1,3-benzothiazol-2-ylidene)-3-keto-4-(4-phenylpiperazin-1-ium-1-yl)butyronitrile Formula: C21H21N4OS+ MolecularWeight: 377.48264

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)C(=C2NC3=CC=CC=C3S2)C#N)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)C(=C2NC3=CC=CC=C3S2)C#N)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4OS/c22-14-17(21-23-18-8-4-5-9-20(18)27-21)19(26)15-24-10-12-25(13-11-24)16-6-2-1-3-7-16/h1-9,23H,10-13,15H2/p+1