(1S)-N-(2-chlorophenyl)-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-2-ium-1-carboxamide

Systemtic Name: (1S)-N-(2-chlorophenyl)-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-2-ium-1-carboxamide Openeye Name: (1S)-N-(2-chlorophenyl)-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-2-ium-1-carboxamide CAS Name: (1S)-N-(2-chlorophenyl)-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-2-ium-1-carboxamide IUPAC Name: (1S)-N-(2-chlorophenyl)-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-2-ium-1-carboxamide Traditional Name: (1S)-N-(2-chlorophenyl)-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-2-ium-1-carboxamide Formula: C18H20ClN2O+ MolecularWeight: 315.8172

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C([NH2+]1)C(=O)NC3=CC=CC=C3Cl)C

Isomeric SMILES

CC1(CC2=CC=CC=C2[C@H]([NH2+]1)C(=O)NC3=CC=CC=C3Cl)C

InChI

InChI=1S/C18H19ClN2O/c1-18(2)11-12-7-3-4-8-13(12)16(21-18)17(22)20-15-10-6-5-9-14(15)19/h3-10,16,21H,11H2,1-2H3,(H,20,22)/p+1/t16-/m0/s1