2-(4-chlorophenyl)-1-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-6,7-diol

Systemtic Name: 2-(4-chlorophenyl)-1-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-6,7-diol Openeye Name: 2-(4-chlorophenyl)-1-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-6,7-diol CAS Name: 2-(4-chlorophenyl)-1-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-6,7-diol IUPAC Name: 2-(4-chlorophenyl)-1-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-6,7-diol Traditional Name: 2-(4-chlorophenyl)-1-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-6,7-diol Formula: C18H21ClNO2+ MolecularWeight: 318.81784

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=CC(=C(C=C2CC[N+]1(C)C3=CC=C(C=C3)Cl)O)O

Isomeric SMILES

CCC1C2=CC(=C(C=C2CC[N+]1(C)C3=CC=C(C=C3)Cl)O)O

InChI

InChI=1S/C18H20ClNO2/c1-3-16-15-11-18(22)17(21)10-12(15)8-9-20(16,2)14-6-4-13(19)5-7-14/h4-7,10-11,16H,3,8-9H2,1-2H3,(H-,21,22)/p+1