(4R)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-(4-phenylpiperazin-1-ium-1-yl)pentanenitrile

Systemtic Name: (4R)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-(4-phenylpiperazin-1-ium-1-yl)pentanenitrile Openeye Name: (4R)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-(4-phenylpiperazin-1-ium-1-yl)pentanenitrile CAS Name: (4R)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-(4-phenyl-1-piperazin-1-iumyl)pentanenitrile IUPAC Name: (4R)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-(4-phenylpiperazin-1-ium-1-yl)pentanenitrile Traditional Name: (4R)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-(4-phenylpiperazin-1-ium-1-yl)valeronitrile Formula: C22H24N5O+ MolecularWeight: 374.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(=C1NC2=CC=CC=C2N1)C#N)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)C(=C1NC2=CC=CC=C2N1)C#N)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H23N5O/c1-16(26-11-13-27(14-12-26)17-7-3-2-4-8-17)21(28)18(15-23)22-24-19-9-5-6-10-20(19)25-22/h2-10,16,24-25H,11-14H2,1H3/p+1/t16-/m1/s1