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

Systemtic Name: (4R)-2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(4-ethanoylpiperazin-1-ium-1-yl)-3-oxidanylidene-pentanenitrile Openeye Name: (4R)-4-(4-acetylpiperazin-1-ium-1-yl)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-pentanenitrile CAS Name: (4R)-4-(4-acetyl-1-piperazin-1-iumyl)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxopentanenitrile IUPAC Name: (4R)-4-(4-acetylpiperazin-1-ium-1-yl)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxopentanenitrile Traditional Name: (4R)-4-(4-acetylpiperazin-1-ium-1-yl)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-valeronitrile Formula: C18H22N5O2+ MolecularWeight: 340.39958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O2/c1-12(22-7-9-23(10-8-22)13(2)24)17(25)14(11-19)18-20-15-5-3-4-6-16(15)21-18/h3-6,12,20-21H,7-10H2,1-2H3/p+1/t12-/m1/s1