ethyl 4-[2-(3-ethenylbenzimidazol-1-ium-1-yl)ethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[2-(3-ethenylbenzimidazol-1-ium-1-yl)ethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[2-(3-vinylbenzimidazol-1-ium-1-yl)acetyl]-1H-pyrrole-3-carboxylate CAS Name: 4-[2-(3-ethenyl-1-benzimidazol-1-iumyl)-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-ethenylbenzimidazol-1-ium-1-yl)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[2-(3-vinylbenzimidazol-1-ium-1-yl)acetyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H22N3O3+ MolecularWeight: 352.40698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)C[N+]2=CN(C3=CC=CC=C32)C=C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)C[N+]2=CN(C3=CC=CC=C32)C=C)C)C

InChI

InChI=1S/C20H21N3O3/c1-5-22-12-23(16-10-8-7-9-15(16)22)11-17(24)18-13(3)21-14(4)19(18)20(25)26-6-2/h5,7-10,12H,1,6,11H2,2-4H3/p+1