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

Systemtic Name: 6-methyl-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]-6-methyl-pyridin-1-ium-3-ol chloride CAS Name: 6-methyl-1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-3-pyridin-1-iumol chloride IUPAC Name: 6-methyl-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]-6-methyl-pyridin-1-ium-3-ol chloride Formula: C17H28ClNO2 MolecularWeight: 313.86272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO2.ClH/c1-12(2)16-8-5-13(3)9-17(16)20-11-18-10-15(19)7-6-14(18)4;/h6-7,10,12-13,16-17H,5,8-9,11H2,1-4H3;1H/t13-,16+,17-;/m1./s1