[(1S)-2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-1-(4-methylphenyl)ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-1-(4-methylphenyl)ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(3-chlorobenzothiophene-2-carbonyl)amino]-1-(p-tolyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-1-(4-methylphenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1-(4-methylphenyl)ethyl]-dimethylazanium Traditional Name: [(1S)-2-[(3-chlorobenzothiophene-2-carbonyl)amino]-1-(p-tolyl)ethyl]-dimethyl-ammonium Formula: C20H22ClN2OS+ MolecularWeight: 373.91948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC(=O)C2=C(C3=CC=CC=C3S2)Cl)[NH+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](CNC(=O)C2=C(C3=CC=CC=C3S2)Cl)[NH+](C)C

InChI

InChI=1S/C20H21ClN2OS/c1-13-8-10-14(11-9-13)16(23(2)3)12-22-20(24)19-18(21)15-6-4-5-7-17(15)25-19/h4-11,16H,12H2,1-3H3,(H,22,24)/p+1/t16-/m1/s1