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

Systemtic Name: [(1R,5S)-8-azoniabicyclo[3.2.1]octan-3-yl] 3,4-dimethoxybenzoate Openeye Name: [(1R,5S)-8-azoniabicyclo[3.2.1]octan-3-yl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [(1R,5S)-8-azoniabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [(1R,5S)-8-azoniabicyclo[3.2.1]octan-3-yl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [(1R,5S)-8-azoniabicyclo[3.2.1]octan-3-yl] ester Formula: C16H22NO4+ MolecularWeight: 292.35018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC2CC3CCC(C2)[NH2+]3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC2C[C@H]3CC[C@@H](C2)[NH2+]3)OC

InChI

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