2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]butanenitrile

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]butanenitrile Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]butanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]butanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]butanenitrile Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]butyronitrile Formula: C19H19N4OS+ MolecularWeight: 351.44536

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)C(=C2NC3=CC=CC=C3N2)C#N)C4=CC=CS4

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC(=O)C(=C2NC3=CC=CC=C3N2)C#N)C4=CC=CS4

InChI

InChI=1S/C19H18N4OS/c20-11-13(19-21-14-5-1-2-6-15(14)22-19)17(24)12-23-9-3-7-16(23)18-8-4-10-25-18/h1-2,4-6,8,10,16,21-22H,3,7,9,12H2/p+1/t16-/m1/s1