(5-bromanylthiophen-2-yl)methyl-[(2R)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-[(2R)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: [(1R)-2-(4-acetylanilino)-1-methyl-2-oxo-ethyl]-[(5-bromo-2-thienyl)methyl]-methyl-ammonium CAS Name: [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[(5-bromo-2-thiophenyl)methyl]-methylammonium IUPAC Name: [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[(5-bromothiophen-2-yl)methyl]-methylazanium Traditional Name: [(1R)-2-(4-acetylanilino)-2-keto-1-methyl-ethyl]-[(5-bromo-2-thienyl)methyl]-methyl-ammonium Formula: C17H20BrN2O2S+ MolecularWeight: 396.3219

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrN2O2S/c1-11(20(3)10-15-8-9-16(18)23-15)17(22)19-14-6-4-13(5-7-14)12(2)21/h4-9,11H,10H2,1-3H3,(H,19,22)/p+1/t11-/m1/s1