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

Systemtic Name: ethyl 2-methyl-5-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethanoyl]-4-phenyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2-methyl-5-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-acetyl]-4-phenyl-1H-pyrrole-3-carboxylate CAS Name: 2-methyl-5-[2-(4-methyl-1-piperazin-4-iumyl)-1,2-dioxoethyl]-4-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoacetyl]-4-phenyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)acetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C2=CC=CC=C2)C(=O)C(=O)N3CC[NH+](CC3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C2=CC=CC=C2)C(=O)C(=O)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C21H25N3O4/c1-4-28-21(27)16-14(2)22-18(17(16)15-8-6-5-7-9-15)19(25)20(26)24-12-10-23(3)11-13-24/h5-9,22H,4,10-13H2,1-3H3/p+1