3-[[2-(4-ethoxycarbonyl-5-methyl-3-phenyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethanoyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[2-(4-ethoxycarbonyl-5-methyl-3-phenyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethanoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(4-ethoxycarbonyl-5-methyl-3-phenyl-1H-pyrrol-2-yl)-2-oxo-acetyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-(4-ethoxycarbonyl-5-methyl-3-phenyl-1H-pyrrol-2-yl)-1,2-dioxoethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(4-ethoxycarbonyl-5-methyl-3-phenyl-1H-pyrrol-2-yl)-2-oxoacetyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-(4-carbethoxy-5-methyl-3-phenyl-1H-pyrrol-2-yl)-2-keto-acetyl]amino]propyl-dimethyl-ammonium Formula: C21H28N3O4+ MolecularWeight: 386.46472

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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+](C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4/c1-5-28-21(27)16-14(2)23-18(17(16)15-10-7-6-8-11-15)19(25)20(26)22-12-9-13-24(3)4/h6-8,10-11,23H,5,9,12-13H2,1-4H3,(H,22,26)/p+1