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

Systemtic Name: ethyl 5-[(2S)-2-(3-ethenylbenzimidazol-1-ium-1-yl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[(2S)-2-(3-vinylbenzimidazol-1-ium-1-yl)propanoyl]-1H-pyrrole-3-carboxylate CAS Name: 5-[(2S)-2-(3-ethenyl-1-benzimidazol-1-iumyl)-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-2-(3-ethenylbenzimidazol-1-ium-1-yl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[(2S)-2-(3-vinylbenzimidazol-1-ium-1-yl)propanoyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3/c1-6-23-12-24(17-11-9-8-10-16(17)23)15(5)20(25)19-13(3)18(14(4)22-19)21(26)27-7-2/h6,8-12,15H,1,7H2,2-5H3/p+1/t15-/m0/s1