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

Systemtic Name: [(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-methoxy-4-oxidanyl-benzoate Openeye Name: [(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 4-hydroxy-3-methoxy-benzoate CAS Name: 4-hydroxy-3-methoxybenzoic 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] 4-hydroxy-3-methoxybenzoate Traditional Name: 4-hydroxy-3-methoxy-benzoic acid [(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester Formula: C16H22NO4+ MolecularWeight: 292.35018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO4/c1-17-11-4-5-12(17)9-13(8-11)21-16(19)10-3-6-14(18)15(7-10)20-2/h3,6-7,11-13,18H,4-5,8-9H2,1-2H3/p+1/t11-,12+,13?