(5-bromanylthiophen-2-yl)methyl-[2-[(5-methoxycarbonyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-[2-[(5-methoxycarbonyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (5-bromo-2-thienyl)methyl-[2-(5-methoxycarbonyl-2-methyl-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl]-methylammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl]-methylazanium Traditional Name: (5-bromo-2-thienyl)methyl-[2-(5-carbomethoxy-2-methyl-anilino)-2-keto-ethyl]-methyl-ammonium Formula: C17H20BrN2O3S+ MolecularWeight: 412.3213

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C[NH+](C)CC2=CC=C(S2)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C[NH+](C)CC2=CC=C(S2)Br

InChI

InChI=1S/C17H19BrN2O3S/c1-11-4-5-12(17(22)23-3)8-14(11)19-16(21)10-20(2)9-13-6-7-15(18)24-13/h4-8H,9-10H2,1-3H3,(H,19,21)/p+1