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

Systemtic Name: [2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]-[(5-bromanylthiophen-2-yl)methyl]-methyl-azanium Openeye Name: [2-(4-acetamidoanilino)-2-oxo-ethyl]-[(5-bromo-2-thienyl)methyl]-methyl-ammonium CAS Name: [2-(4-acetamidoanilino)-2-oxoethyl]-[(5-bromo-2-thiophenyl)methyl]-methylammonium IUPAC Name: [2-(4-acetamidoanilino)-2-oxoethyl]-[(5-bromothiophen-2-yl)methyl]-methylazanium Traditional Name: [2-(4-acetamidoanilino)-2-keto-ethyl]-[(5-bromo-2-thienyl)methyl]-methyl-ammonium Formula: C16H19BrN3O2S+ MolecularWeight: 397.30996

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C[NH+](C)CC2=CC=C(S2)Br

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C[NH+](C)CC2=CC=C(S2)Br

InChI

InChI=1S/C16H18BrN3O2S/c1-11(21)18-12-3-5-13(6-4-12)19-16(22)10-20(2)9-14-7-8-15(17)23-14/h3-8H,9-10H2,1-2H3,(H,18,21)(H,19,22)/p+1