cyclohexyl 2-[(1R,5S)-3-oxidanyl-3-pyridin-3-yl-8-azoniabicyclo[3.2.1]octan-8-yl]ethanoate

Systemtic Name: cyclohexyl 2-[(1R,5S)-3-oxidanyl-3-pyridin-3-yl-8-azoniabicyclo[3.2.1]octan-8-yl]ethanoate Openeye Name: cyclohexyl 2-[(1R,5S)-3-hydroxy-3-(3-pyridyl)-8-azoniabicyclo[3.2.1]octan-8-yl]acetate CAS Name: 2-[(1R,5S)-3-hydroxy-3-(3-pyridinyl)-8-azoniabicyclo[3.2.1]octan-8-yl]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[(1R,5S)-3-hydroxy-3-pyridin-3-yl-8-azoniabicyclo[3.2.1]octan-8-yl]acetate Traditional Name: 2-[(1R,5S)-3-hydroxy-3-(3-pyridyl)-8-azoniabicyclo[3.2.1]octan-8-yl]acetic acid cyclohexyl ester Formula: C20H29N2O3+ MolecularWeight: 345.45586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C[NH+]2C3CCC2CC(C3)(C4=CN=CC=C4)O

Isomeric SMILES

C1CCC(CC1)OC(=O)C[NH+]2[C@@H]3CC[C@H]2CC(C3)(C4=CN=CC=C4)O

InChI

InChI=1S/C20H28N2O3/c23-19(25-18-6-2-1-3-7-18)14-22-16-8-9-17(22)12-20(24,11-16)15-5-4-10-21-13-15/h4-5,10,13,16-18,24H,1-3,6-9,11-12,14H2/p+1/t16-,17+,20?