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

Systemtic Name: ethyl 2,5-dimethyl-4-[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H30N3O3+ MolecularWeight: 384.4919

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3/c1-5-28-22(27)21-17(4)23-16(3)20(21)19(26)14-24-10-12-25(13-11-24)18-9-7-6-8-15(18)2/h6-9,23H,5,10-14H2,1-4H3/p+1