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

Systemtic Name: (2-bromophenyl)methyl-[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (2-bromophenyl)methyl-[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]-methyl-ammonium CAS Name: (2-bromophenyl)methyl-[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-methylammonium IUPAC Name: (2-bromophenyl)methyl-[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-methylazanium Traditional Name: (2-bromobenzyl)-[2-(4-carbomethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]-methyl-ammonium Formula: C18H22BrN2O3+ MolecularWeight: 394.28288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C[NH+](C)CC2=CC=CC=C2Br

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C[NH+](C)CC2=CC=CC=C2Br

InChI

InChI=1S/C18H21BrN2O3/c1-11-16(18(23)24-4)12(2)20-17(11)15(22)10-21(3)9-13-7-5-6-8-14(13)19/h5-8,20H,9-10H2,1-4H3/p+1