6,7-dimethoxy-1-methyl-spiro[4H-isoquinolin-2-ium-3,1'-cyclohexane]; 2-oxidanylbenzoate

Systemtic Name: 6,7-dimethoxy-1-methyl-spiro[4H-isoquinolin-2-ium-3,1'-cyclohexane]; 2-oxidanylbenzoate Openeye Name: 6,7-dimethoxy-1-methyl-spiro[4H-isoquinolin-2-ium-3,1'-cyclohexane]; 2-hydroxybenzoate CAS Name: 6,7-dimethoxy-1-methylspiro[4H-isoquinolin-2-ium-3,1'-cyclohexane]; 2-hydroxybenzoate IUPAC Name: 6,7-dimethoxy-1-methylspiro[4H-isoquinolin-2-ium-3,1'-cyclohexane]; 2-hydroxybenzoate Traditional Name: 6,7-dimethoxy-1-methyl-spiro[4H-isoquinolin-2-ium-3,1'-cyclohexane]; salicylate Formula: C24H29NO5 MolecularWeight: 411.49076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2(CCCCC2)CC3=CC(=C(C=C13)OC)OC.C1=CC=C(C(=C1)C(=O)[O-])O

Isomeric SMILES

CC1=[NH+]C2(CCCCC2)CC3=CC(=C(C=C13)OC)OC.C1=CC=C(C(=C1)C(=O)[O-])O

InChI

InChI=1S/C17H23NO2.C7H6O3/c1-12-14-10-16(20-3)15(19-2)9-13(14)11-17(18-12)7-5-4-6-8-17;8-6-4-2-1-3-5(6)7(9)10/h9-10H,4-8,11H2,1-3H3;1-4,8H,(H,9,10)