(5-bromanylthiophen-2-yl)methyl-[(2S)-1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-[(2S)-1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: (5-bromo-2-thienyl)methyl-[(1S)-2-(3-fluoro-4-methyl-anilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: (5-bromo-2-thienyl)methyl-[(1S)-2-(3-fluoro-4-methyl-anilino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C16H19BrFN2OS+ MolecularWeight: 386.302263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18BrFN2OS/c1-10-4-5-12(8-14(10)18)19-16(21)11(2)20(3)9-13-6-7-15(17)22-13/h4-8,11H,9H2,1-3H3,(H,19,21)/p+1/t11-/m0/s1