ethyl 4-[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[3-cyano-3-(1,3-dimethyl-2-benzimidazolylidene)-2-oxopropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-keto-propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C20H26N5O3+ MolecularWeight: 384.45214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N

InChI

InChI=1S/C20H25N5O3/c1-4-28-20(27)25-11-9-24(10-12-25)14-18(26)15(13-21)19-22(2)16-7-5-6-8-17(16)23(19)3/h5-8H,4,9-12,14H2,1-3H3/p+1