[(1S)-1-(2-chlorophenyl)-2-[(1-oxidanylidene-2H-isoquinolin-3-yl)carbonylamino]ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(2-chlorophenyl)-2-[(1-oxidanylidene-2H-isoquinolin-3-yl)carbonylamino]ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(2-chlorophenyl)-2-[(1-oxo-2H-isoquinoline-3-carbonyl)amino]ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(2-chlorophenyl)-2-[[oxo-(1-oxo-2H-isoquinolin-3-yl)methyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(2-chlorophenyl)-2-[(1-oxo-2H-isoquinoline-3-carbonyl)amino]ethyl]-dimethylazanium Traditional Name: [(1S)-1-(2-chlorophenyl)-2-[(1-keto-2H-isoquinoline-3-carbonyl)amino]ethyl]-dimethyl-ammonium Formula: C20H21ClN3O2+ MolecularWeight: 370.85264

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC2=CC=CC=C2C(=O)N1)C3=CC=CC=C3Cl

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC2=CC=CC=C2C(=O)N1)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H20ClN3O2/c1-24(2)18(15-9-5-6-10-16(15)21)12-22-20(26)17-11-13-7-3-4-8-14(13)19(25)23-17/h3-11,18H,12H2,1-2H3,(H,22,26)(H,23,25)/p+1/t18-/m1/s1