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

Systemtic Name: ethyl 2-methyl-5-[2-(2-morpholin-4-ium-4-ylethylamino)-2-oxidanylidene-ethanoyl]-4-phenyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2-methyl-5-[2-(2-morpholin-4-ium-4-ylethylamino)-2-oxo-acetyl]-4-phenyl-1H-pyrrole-3-carboxylate CAS Name: 2-methyl-5-[2-[2-(4-morpholin-4-iumyl)ethylamino]-1,2-dioxoethyl]-4-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-[2-(2-morpholin-4-ium-4-ylethylamino)-2-oxoacetyl]-4-phenyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-keto-2-(2-morpholin-4-ium-4-ylethylamino)acetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H28N3O5+ MolecularWeight: 414.47482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5/c1-3-30-22(28)17-15(2)24-19(18(17)16-7-5-4-6-8-16)20(26)21(27)23-9-10-25-11-13-29-14-12-25/h4-8,24H,3,9-14H2,1-2H3,(H,23,27)/p+1