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

Systemtic Name: 3-[[2-[4-ethoxycarbonyl-3-(4-methoxyphenyl)-5-methyl-1H-pyrrol-2-yl]-2-oxidanylidene-ethanoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[2-[4-ethoxycarbonyl-3-(4-methoxyphenyl)-5-methyl-1H-pyrrol-2-yl]-2-oxo-acetyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-[4-ethoxycarbonyl-3-(4-methoxyphenyl)-5-methyl-1H-pyrrol-2-yl]-1,2-dioxoethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-[4-ethoxycarbonyl-3-(4-methoxyphenyl)-5-methyl-1H-pyrrol-2-yl]-2-oxoacetyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-[4-carbethoxy-3-(4-methoxyphenyl)-5-methyl-1H-pyrrol-2-yl]-2-keto-acetyl]amino]propyl-dimethyl-ammonium Formula: C22H30N3O5+ MolecularWeight: 416.4907

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O5/c1-6-30-22(28)17-14(2)24-19(18(17)15-8-10-16(29-5)11-9-15)20(26)21(27)23-12-7-13-25(3)4/h8-11,24H,6-7,12-13H2,1-5H3,(H,23,27)/p+1