(5-bromanylthiophen-2-yl)methyl-[(2S)-1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-[(2S)-1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: (5-bromo-2-thienyl)methyl-[(1S)-2-(2,5-dimethylanilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: (5-bromo-2-thienyl)methyl-[(1S)-2-(2,5-dimethylanilino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C17H22BrN2OS+ MolecularWeight: 382.33838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21BrN2OS/c1-11-5-6-12(2)15(9-11)19-17(21)13(3)20(4)10-14-7-8-16(18)22-14/h5-9,13H,10H2,1-4H3,(H,19,21)/p+1/t13-/m0/s1