(5-bromanylthiophen-2-yl)methyl-[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (5-bromo-2-thienyl)methyl-[2-(4-ethoxycarbonylanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-methylammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-methylazanium Traditional Name: (5-bromo-2-thienyl)methyl-[2-(4-carbethoxyanilino)-2-keto-ethyl]-methyl-ammonium Formula: C17H20BrN2O3S+ MolecularWeight: 412.3213

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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