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

Systemtic Name: ethyl 2-methyl-5-[2-(3-morpholin-4-ium-4-ylpropylamino)-2-oxidanylidene-ethanoyl]-4-phenyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2-methyl-5-[2-(3-morpholin-4-ium-4-ylpropylamino)-2-oxo-acetyl]-4-phenyl-1H-pyrrole-3-carboxylate CAS Name: 2-methyl-5-[2-[3-(4-morpholin-4-iumyl)propylamino]-1,2-dioxoethyl]-4-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-[2-(3-morpholin-4-ium-4-ylpropylamino)-2-oxoacetyl]-4-phenyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-keto-2-(3-morpholin-4-ium-4-ylpropylamino)acetyl]-2-methyl-4-phenyl-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=CC=C2)C(=O)C(=O)NCCC[NH+]3CCOCC3)C

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O5/c1-3-31-23(29)18-16(2)25-20(19(18)17-8-5-4-6-9-17)21(27)22(28)24-10-7-11-26-12-14-30-15-13-26/h4-6,8-9,25H,3,7,10-15H2,1-2H3,(H,24,28)/p+1