(5-bromanylthiophen-2-yl)methyl-methyl-[(1S)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl]azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-methyl-[(1S)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl]azanium Openeye Name: (5-bromo-2-thienyl)methyl-methyl-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenyl-ethyl]ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-methyl-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]ammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-methyl-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium Traditional Name: (5-bromo-2-thienyl)methyl-[(1S)-2-keto-2-(methylcarbamoylamino)-1-phenyl-ethyl]-methyl-ammonium Formula: C16H19BrN3O2S+ MolecularWeight: 397.30996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18BrN3O2S/c1-18-16(22)19-15(21)14(11-6-4-3-5-7-11)20(2)10-12-8-9-13(17)23-12/h3-9,14H,10H2,1-2H3,(H2,18,19,21,22)/p+1/t14-/m0/s1