ethyl 2-methyl-4-(4-methylphenyl)-5-[2-(2-morpholin-4-ium-4-ylethylamino)-2-oxidanylidene-ethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2-methyl-4-(4-methylphenyl)-5-[2-(2-morpholin-4-ium-4-ylethylamino)-2-oxidanylidene-ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2-methyl-5-[2-(2-morpholin-4-ium-4-ylethylamino)-2-oxo-acetyl]-4-(p-tolyl)-1H-pyrrole-3-carboxylate CAS Name: 2-methyl-4-(4-methylphenyl)-5-[2-[2-(4-morpholin-4-iumyl)ethylamino]-1,2-dioxoethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-4-(4-methylphenyl)-5-[2-(2-morpholin-4-ium-4-ylethylamino)-2-oxoacetyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-keto-2-(2-morpholin-4-ium-4-ylethylamino)acetyl]-2-methyl-4-(p-tolyl)-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C23H30N3O5+ MolecularWeight: 428.5014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C2=CC=C(C=C2)C)C(=O)C(=O)NCC[NH+]3CCOCC3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C2=CC=C(C=C2)C)C(=O)C(=O)NCC[NH+]3CCOCC3)C

InChI

InChI=1S/C23H29N3O5/c1-4-31-23(29)18-16(3)25-20(19(18)17-7-5-15(2)6-8-17)21(27)22(28)24-9-10-26-11-13-30-14-12-26/h5-8,25H,4,9-14H2,1-3H3,(H,24,28)/p+1