[(1R)-2-[(5-bromanyl-3-methyl-1-benzothiophen-2-yl)carbonylamino]-1-(2-methoxyphenyl)ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-2-[(5-bromanyl-3-methyl-1-benzothiophen-2-yl)carbonylamino]-1-(2-methoxyphenyl)ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-[(5-bromo-3-methyl-benzothiophene-2-carbonyl)amino]-1-(2-methoxyphenyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[[(5-bromo-3-methyl-1-benzothiophen-2-yl)-oxomethyl]amino]-1-(2-methoxyphenyl)ethyl]-dimethylammonium IUPAC Name: [(1R)-2-[(5-bromo-3-methyl-1-benzothiophene-2-carbonyl)amino]-1-(2-methoxyphenyl)ethyl]-dimethylazanium Traditional Name: [(1R)-2-[(5-bromo-3-methyl-benzothiophene-2-carbonyl)amino]-1-(2-methoxyphenyl)ethyl]-dimethyl-ammonium Formula: C21H24BrN2O2S+ MolecularWeight: 448.39646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)Br)C(=O)NCC(C3=CC=CC=C3OC)[NH+](C)C

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)Br)C(=O)NC[C@@H](C3=CC=CC=C3OC)[NH+](C)C

InChI

InChI=1S/C21H23BrN2O2S/c1-13-16-11-14(22)9-10-19(16)27-20(13)21(25)23-12-17(24(2)3)15-7-5-6-8-18(15)26-4/h5-11,17H,12H2,1-4H3,(H,23,25)/p+1/t17-/m0/s1