ethyl 5-[[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylanilino]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C23H33N4O3+ MolecularWeight: 413.53312

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=C(C(=C(N3)C)C(=O)OCC)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=C(C(=C(N3)C)C(=O)OCC)C)C

InChI

InChI=1S/C23H32N4O3/c1-6-26-10-12-27(13-11-26)18-8-9-19(15(3)14-18)25-22(28)21-16(4)20(17(5)24-21)23(29)30-7-2/h8-9,14,24H,6-7,10-13H2,1-5H3,(H,25,28)/p+1