(4-bromophenyl)methyl-[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (4-bromophenyl)methyl-[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (4-bromophenyl)methyl-[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]-methyl-ammonium CAS Name: (4-bromophenyl)methyl-[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-methylammonium IUPAC Name: (4-bromophenyl)methyl-[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-methylazanium Traditional Name: (4-bromobenzyl)-[2-(4-carbethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]-methyl-ammonium Formula: C19H24BrN2O3+ MolecularWeight: 408.30946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C[NH+](C)CC2=CC=C(C=C2)Br)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)C[NH+](C)CC2=CC=C(C=C2)Br)C

InChI

InChI=1S/C19H23BrN2O3/c1-5-25-19(24)17-12(2)18(21-13(17)3)16(23)11-22(4)10-14-6-8-15(20)9-7-14/h6-9,21H,5,10-11H2,1-4H3/p+1