(4R)-2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-3-oxidanylidene-pentanenitrile

Systemtic Name: (4R)-2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-3-oxidanylidene-pentanenitrile Openeye Name: (4R)-2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-3-oxo-pentanenitrile CAS Name: (4R)-2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-3-oxopentanenitrile IUPAC Name: (4R)-2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-3-oxopentanenitrile Traditional Name: (4R)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-(4-o-phenetylpiperazin-1-ium-1-yl)valeronitrile Formula: C24H28N5O2+ MolecularWeight: 418.51142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)C(C)C(=O)C(=C3NC4=CC=CC=C4N3)C#N

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)[C@H](C)C(=O)C(=C3NC4=CC=CC=C4N3)C#N

InChI

InChI=1S/C24H27N5O2/c1-3-31-22-11-7-6-10-21(22)29-14-12-28(13-15-29)17(2)23(30)18(16-25)24-26-19-8-4-5-9-20(19)27-24/h4-11,17,26-27H,3,12-15H2,1-2H3/p+1/t17-/m1/s1