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

Systemtic Name: 4-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile Openeye Name: 4-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: 4-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanenitrile IUPAC Name: 4-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanenitrile Traditional Name: 4-[(3S)-3-(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:

C1CC(C[NH+](C1)CC(=O)C(=C2NC3=CC=CC=C3N2)C#N)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)C(=C2NC3=CC=CC=C3N2)C#N)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H21N5OS/c24-12-16(22-25-17-7-1-2-8-18(17)26-22)20(29)14-28-11-5-6-15(13-28)23-27-19-9-3-4-10-21(19)30-23/h1-4,7-10,15,25-26H,5-6,11,13-14H2/p+1/t15-/m0/s1