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

Systemtic Name: dodecyl-dimethyl-[[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxymethyl]azanium Openeye Name: dodecyl-[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]methyl]-dimethyl-ammonium CAS Name: dodecyl-dimethyl-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]ammonium IUPAC Name: dodecyl-dimethyl-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]azanium Traditional Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]methyl-lauryl-dimethyl-ammonium Formula: C25H52NO+ MolecularWeight: 382.68648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H52NO/c1-7-8-9-10-11-12-13-14-15-16-19-26(5,6)21-27-25-20-23(4)17-18-24(25)22(2)3/h22-25H,7-21H2,1-6H3/q+1/t23-,24+,25-/m1/s1