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

Systemtic Name: ethyl 4-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)C[NH+]2CCN(CC2)C3=CC=CC(=C3C)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)C[NH+]2CCN(CC2)C3=CC=CC(=C3C)C)C)C

InChI

InChI=1S/C23H31N3O3/c1-6-29-23(28)22-18(5)24-17(4)21(22)20(27)14-25-10-12-26(13-11-25)19-9-7-8-15(2)16(19)3/h7-9,24H,6,10-14H2,1-5H3/p+1