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

Systemtic Name: [(1S,5R)-8-propyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3,4-dimethoxybenzoate Openeye Name: [(1S,5R)-8-propyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [(1S,5R)-8-propyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [(1S,5R)-8-propyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [(1S,5R)-8-propyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester Formula: C19H28NO4+ MolecularWeight: 334.42992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO4/c1-4-9-20-14-6-7-15(20)12-16(11-14)24-19(21)13-5-8-17(22-2)18(10-13)23-3/h5,8,10,14-16H,4,6-7,9,11-12H2,1-3H3/p+1/t14-,15+,16?