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

Systemtic Name: 3-methyl-1-[[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxymethyl]pyridin-1-ium Openeye Name: 1-[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]methyl]-3-methyl-pyridin-1-ium CAS Name: 3-methyl-1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]pyridin-1-ium IUPAC Name: 3-methyl-1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]pyridin-1-ium Traditional Name: 1-[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]methyl]-3-methyl-pyridin-1-ium Formula: C17H28NO+ MolecularWeight: 262.41032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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