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

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

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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+](C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4/c1-6-28-21(27)16-14(3)23-18(17(16)15-9-7-13(2)8-10-15)19(25)20(26)22-11-12-24(4)5/h7-10,23H,6,11-12H2,1-5H3,(H,22,26)/p+1