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

Systemtic Name: 2-methyl-1-[[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxymethyl]pyridin-1-ium chloride Openeye Name: 1-[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]methyl]-2-methyl-pyridin-1-ium chloride CAS Name: 2-methyl-1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]pyridin-1-ium chloride IUPAC Name: 2-methyl-1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]pyridin-1-ium chloride Traditional Name: 1-[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]methyl]-2-methyl-pyridin-1-ium chloride Formula: C17H28ClNO MolecularWeight: 297.86332

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC[N+]2=CC=CC=C2C)C(C)C.[Cl-]

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC[N+]2=CC=CC=C2C)C(C)C.[Cl-]

InChI

InChI=1S/C17H28NO.ClH/c1-13(2)16-9-8-14(3)11-17(16)19-12-18-10-6-5-7-15(18)4;/h5-7,10,13-14,16-17H,8-9,11-12H2,1-4H3;1H/q+1;/p-1/t14-,16+,17-;/m1./s1