[(1S,2S,5R)-2-methyl-5-propan-2-yl-cyclohexyl] 2-[3-(2-hydroxyethylcarbamoyl)pyridin-1-ium-1-yl]ethanoate

Systemtic Name: [(1S,2S,5R)-2-methyl-5-propan-2-yl-cyclohexyl] 2-[3-(2-hydroxyethylcarbamoyl)pyridin-1-ium-1-yl]ethanoate Openeye Name: [(1S,2S,5R)-5-isopropyl-2-methyl-cyclohexyl] 2-[3-(2-hydroxyethylcarbamoyl)pyridin-1-ium-1-yl]acetate CAS Name: 2-[3-[(2-hydroxyethylamino)-oxomethyl]-1-pyridin-1-iumyl]acetic acid [(1S,2S,5R)-2-methyl-5-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2S,5R)-2-methyl-5-propan-2-ylcyclohexyl] 2-[3-(2-hydroxyethylcarbamoyl)pyridin-1-ium-1-yl]acetate Traditional Name: 2-[3-(2-hydroxyethylcarbamoyl)pyridin-1-ium-1-yl]acetic acid [(1S,2S,5R)-5-isopropyl-2-methyl-cyclohexyl] ester Formula: C20H31N2O4+ MolecularWeight: 363.47114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1OC(=O)C[N+]2=CC=CC(=C2)C(=O)NCCO)C(C)C

Isomeric SMILES

C[C@H]1CC[C@H](C[C@@H]1OC(=O)C[N+]2=CC=CC(=C2)C(=O)NCCO)C(C)C

InChI

InChI=1S/C20H30N2O4/c1-14(2)16-7-6-15(3)18(11-16)26-19(24)13-22-9-4-5-17(12-22)20(25)21-8-10-23/h4-5,9,12,14-16,18,23H,6-8,10-11,13H2,1-3H3/p+1/t15-,16+,18-/m0/s1