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

Systemtic Name: ethyl 2,5-dimethyl-4-[2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[2-(4-benzoyl-1-piperazin-1-iumyl)-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4/c1-4-29-22(28)20-16(3)23-15(2)19(20)18(26)14-24-10-12-25(13-11-24)21(27)17-8-6-5-7-9-17/h5-9,23H,4,10-14H2,1-3H3/p+1