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

Systemtic Name: ethyl 1-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H23N4O3+ MolecularWeight: 355.41092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)C(=C2NC3=CC=CC=C3N2)C#N

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)C(=C2NC3=CC=CC=C3N2)C#N

InChI

InChI=1S/C19H22N4O3/c1-2-26-19(25)13-7-9-23(10-8-13)12-17(24)14(11-20)18-21-15-5-3-4-6-16(15)22-18/h3-6,13,21-22H,2,7-10,12H2,1H3/p+1