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

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-3-oxo-butanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-3-oxobutanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-3-oxobutanenitrile Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-3-keto-butyronitrile Formula: C21H22N5O2+ MolecularWeight: 376.43168

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)C(=C2NC3=CC=CC=C3N2)C#N)C4=CC=CC=C4O

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)C(=C2NC3=CC=CC=C3N2)C#N)C4=CC=CC=C4O

InChI

InChI=1S/C21H21N5O2/c22-13-15(21-23-16-5-1-2-6-17(16)24-21)20(28)14-25-9-11-26(12-10-25)18-7-3-4-8-19(18)27/h1-8,23-24,27H,9-12,14H2/p+1