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

Systemtic Name: methyl 2,4-dimethyl-5-[2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-(4-benzoyl-1-piperazin-1-iumyl)-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O4/c1-14-18(21(27)28-3)15(2)22-19(14)17(25)13-23-9-11-24(12-10-23)20(26)16-7-5-4-6-8-16/h4-8,22H,9-13H2,1-3H3/p+1