[(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3,4-dimethoxybenzoate

Systemtic Name: [(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3,4-dimethoxybenzoate Openeye Name: [(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester Formula: C17H24NO4+ MolecularWeight: 306.37676

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C2CCC1CC(C2)OC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[NH+]1[C@@H]2CC[C@H]1CC(C2)OC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C17H23NO4/c1-18-12-5-6-13(18)10-14(9-12)22-17(19)11-4-7-15(20-2)16(8-11)21-3/h4,7-8,12-14H,5-6,9-10H2,1-3H3/p+1/t12-,13+,14?