ethyl 3-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 3-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 3-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxo-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 3-[2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl]-1-ethyl-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-1-ethyl-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 3-[2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(=O)NCCC3=CCCCC3)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(=O)NCCC3=CCCCC3)C

InChI

InChI=1S/C23H31N3O3/c1-4-25-17(3)26(16-22(27)24-14-13-18-9-7-6-8-10-18)21-15-19(11-12-20(21)25)23(28)29-5-2/h9,11-12,15H,4-8,10,13-14,16H2,1-3H3/p+1