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

Systemtic Name: 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]pyridin-1-ium chloride CAS Name: 1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]pyridin-1-ium chloride IUPAC Name: 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]pyridin-1-ium chloride Formula: C16H26ClNO MolecularWeight: 283.83674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26NO.ClH/c1-13(2)15-8-7-14(3)11-16(15)18-12-17-9-5-4-6-10-17;/h4-6,9-10,13-16H,7-8,11-12H2,1-3H3;1H/q+1;/p-1/t14-,15+,16-;/m1./s1