ethyl 5-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethanoyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethanoyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-acetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-(4-ethyl-1-piperazin-4-iumyl)-1,2-dioxoethyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoacetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-acetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(=O)C2=C(C(=C(N2)C)C(=O)OCC)C3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C(=O)C2=C(C(=C(N2)C)C(=O)OCC)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O4/c1-4-24-11-13-25(14-12-24)21(27)20(26)19-18(16-9-7-6-8-10-16)17(15(3)23-19)22(28)29-5-2/h6-10,23H,4-5,11-14H2,1-3H3/p+1