1-[[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxymethyl]pyridin-1-ium-3-ol chloride

Systemtic Name: 1-[[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxymethyl]pyridin-1-ium-3-ol chloride Openeye Name: 1-[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]methyl]pyridin-1-ium-3-ol chloride CAS Name: 1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-3-pyridin-1-iumol chloride IUPAC Name: 1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]pyridin-1-ium-3-ol chloride Traditional Name: 1-[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]methyl]pyridin-1-ium-3-ol chloride Formula: C16H26ClNO2 MolecularWeight: 299.83614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC[N+]2=CC=CC(=C2)O)C(C)C.[Cl-]

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC[N+]2=CC=CC(=C2)O)C(C)C.[Cl-]

InChI

InChI=1S/C16H25NO2.ClH/c1-12(2)15-7-6-13(3)9-16(15)19-11-17-8-4-5-14(18)10-17;/h4-5,8,10,12-13,15-16H,6-7,9,11H2,1-3H3;1H/t13-,15+,16-;/m1./s1