ethyl 2,4-dimethyl-5-[2-(4-phenylpiperazin-1-ium-1-yl)ethylcarbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[2-(4-phenylpiperazin-1-ium-1-yl)ethylcarbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[2-(4-phenylpiperazin-1-ium-1-yl)ethylcarbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[2-(4-phenyl-1-piperazin-1-iumyl)ethylamino]methyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[2-(4-phenylpiperazin-1-ium-1-yl)ethylcarbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-(4-phenylpiperazin-1-ium-1-yl)ethylcarbamoyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H31N4O3+ MolecularWeight: 399.50654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O3/c1-4-29-22(28)19-16(2)20(24-17(19)3)21(27)23-10-11-25-12-14-26(15-13-25)18-8-6-5-7-9-18/h5-9,24H,4,10-15H2,1-3H3,(H,23,27)/p+1