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

Systemtic Name: [(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 4-ethoxybenzoate Openeye Name: [(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic 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-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester Formula: C17H24NO3+ MolecularWeight: 290.37736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OC2CC3CCC(C2)[NH+]3C

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO3/c1-3-20-15-8-4-12(5-9-15)17(19)21-16-10-13-6-7-14(11-16)18(13)2/h4-5,8-9,13-14,16H,3,6-7,10-11H2,1-2H3/p+1/t13-,14+,16?