dimethyl-[[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxymethyl]-octyl-azanium

Systemtic Name: dimethyl-[[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxymethyl]-octyl-azanium Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]methyl-dimethyl-octyl-ammonium CAS Name: dimethyl-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-octylammonium IUPAC Name: dimethyl-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-octylazanium Traditional Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]methyl-dimethyl-octyl-ammonium Formula: C21H44NO+ MolecularWeight: 326.58016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](C)(C)COC1CC(CCC1C(C)C)C

Isomeric SMILES

CCCCCCCC[N+](C)(C)CO[C@@H]1C[C@@H](CC[C@H]1C(C)C)C

InChI

InChI=1S/C21H44NO/c1-7-8-9-10-11-12-15-22(5,6)17-23-21-16-19(4)13-14-20(21)18(2)3/h18-21H,7-17H2,1-6H3/q+1/t19-,20+,21-/m1/s1