[(1R,5S)-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl] 4-ethoxybenzoate

Systemtic Name: [(1R,5S)-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl] 4-ethoxybenzoate Openeye Name: [(1R,5S)-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid [(1R,5S)-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl] ester IUPAC Name: [(1R,5S)-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [(1R,5S)-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl] ester Formula: C18H26NO3+ MolecularWeight: 304.40394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OC2CC3CCCC(C2)[NH+]3C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)OC2C[C@H]3CCC[C@@H](C2)[NH+]3C

InChI

InChI=1S/C18H25NO3/c1-3-21-16-9-7-13(8-10-16)18(20)22-17-11-14-5-4-6-15(12-17)19(14)2/h7-10,14-15,17H,3-6,11-12H2,1-2H3/p+1/t14-,15+,17?