[(4aS,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-8-yl] benzoate chloride

Systemtic Name: [(4aS,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-8-yl] benzoate chloride Openeye Name: [(4aS,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-8-yl] benzoate chloride CAS Name: benzoic acid [(4aS,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-8-yl] ester chloride IUPAC Name: [(4aS,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-8-yl] benzoate chloride Traditional Name: benzoic acid [(4aS,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-8-yl] ester chloride Formula: C17H24ClNO2 MolecularWeight: 309.83096

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2CCCC(C2C1)OC(=O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

C[NH+]1CC[C@@H]2CCCC([C@@H]2C1)OC(=O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C17H23NO2.ClH/c1-18-11-10-13-8-5-9-16(15(13)12-18)20-17(19)14-6-3-2-4-7-14;/h2-4,6-7,13,15-16H,5,8-12H2,1H3;1H/t13-,15+,16?;/m0./s1