[(3S)-6-methoxy-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3,4-dimethoxybenzoate

Systemtic Name: [(3S)-6-methoxy-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3,4-dimethoxybenzoate Openeye Name: [(3S)-6-methoxy-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [(3S)-6-methoxy-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [(3S)-6-methoxy-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [(3S)-6-methoxy-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester Formula: C19H28NO5+ MolecularWeight: 350.42932

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CC(CC1C(C2)OC)OC(=O)C3=CC(=C(C=C3)OC)OC)C

Isomeric SMILES

C[N+]1(C2C[C@@H](CC1C(C2)OC)OC(=O)C3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C19H28NO5/c1-20(2)13-9-14(11-15(20)17(10-13)23-4)25-19(21)12-6-7-16(22-3)18(8-12)24-5/h6-8,13-15,17H,9-11H2,1-5H3/q+1/t13?,14-,15?,17?/m0/s1