ethyl 3-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 3-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 3-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxo-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 3-[2-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-oxoethyl]-1-ethyl-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-1-ethyl-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 3-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-keto-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C24H32N3O3+ MolecularWeight: 410.52918

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)CN2C(=[N+](C3=C2C=C(C=C3)C(=O)OCC)CC)C)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)CN2C(=[N+](C3=C2C=C(C=C3)C(=O)OCC)CC)C)C

InChI

InChI=1S/C24H32N3O3/c1-7-12-26-16(4)13-20(17(26)5)23(28)15-27-18(6)25(8-2)21-11-10-19(14-22(21)27)24(29)30-9-3/h10-11,13-14H,7-9,12,15H2,1-6H3/q+1