(2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-6-yl) 3,4,5-trimethoxybenzoate chloride

Systemtic Name: (2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-6-yl) 3,4,5-trimethoxybenzoate chloride Openeye Name: (2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-6-yl) 3,4,5-trimethoxybenzoate chloride CAS Name: 3,4,5-trimethoxybenzoic acid (2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-6-yl) ester chloride IUPAC Name: (2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-6-yl) 3,4,5-trimethoxybenzoate chloride Traditional Name: 3,4,5-trimethoxybenzoic acid (2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-6-yl) ester chloride Formula: C20H30ClNO5 MolecularWeight: 399.9089

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2CC(CCC2C1)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC.[Cl-]

Isomeric SMILES

C[NH+]1CCC2CC(CCC2C1)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC.[Cl-]

InChI

InChI=1S/C20H29NO5.ClH/c1-21-8-7-13-9-16(6-5-14(13)12-21)26-20(22)15-10-17(23-2)19(25-4)18(11-15)24-3;/h10-11,13-14,16H,5-9,12H2,1-4H3;1H