4-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile

Systemtic Name: 4-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile Openeye Name: 4-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: 4-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanenitrile IUPAC Name: 4-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanenitrile Traditional Name: 4-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-butyronitrile Formula: C23H22N5OS+ MolecularWeight: 416.51868

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)C(=C4NC5=CC=CC=C5N4)C#N

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)C(=C4NC5=CC=CC=C5N4)C#N

InChI

InChI=1S/C23H21N5OS/c24-13-16(22-25-17-5-1-2-6-18(17)26-22)20(29)14-28-11-9-15(10-12-28)23-27-19-7-3-4-8-21(19)30-23/h1-8,15,25-26H,9-12,14H2/p+1