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

Systemtic Name: 3-[[2-[4-ethoxycarbonyl-5-methyl-3-(4-methylphenyl)-1H-pyrrol-2-yl]-2-oxidanylidene-ethanoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[2-[4-ethoxycarbonyl-5-methyl-3-(p-tolyl)-1H-pyrrol-2-yl]-2-oxo-acetyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-[4-ethoxycarbonyl-5-methyl-3-(4-methylphenyl)-1H-pyrrol-2-yl]-1,2-dioxoethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-[4-ethoxycarbonyl-5-methyl-3-(4-methylphenyl)-1H-pyrrol-2-yl]-2-oxoacetyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-[4-carbethoxy-5-methyl-3-(p-tolyl)-1H-pyrrol-2-yl]-2-keto-acetyl]amino]propyl-dimethyl-ammonium Formula: C22H30N3O4+ MolecularWeight: 400.4913

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4/c1-6-29-22(28)17-15(3)24-19(18(17)16-10-8-14(2)9-11-16)20(26)21(27)23-12-7-13-25(4)5/h8-11,24H,6-7,12-13H2,1-5H3,(H,23,27)/p+1