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

Systemtic Name: 1-decyl-3-[[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxymethyl]imidazol-3-ium chloride Openeye Name: 1-decyl-3-[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]methyl]imidazol-3-ium chloride CAS Name: 1-decyl-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]imidazol-3-ium chloride IUPAC Name: 1-decyl-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]imidazol-3-ium chloride Traditional Name: 1-decyl-3-[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]methyl]imidazol-3-ium chloride Formula: C24H45ClN2O MolecularWeight: 413.0799

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C=C[N+](=C1)COC2CC(CCC2C(C)C)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCN1C=C[N+](=C1)CO[C@@H]2C[C@@H](CC[C@H]2C(C)C)C.[Cl-]

InChI

InChI=1S/C24H45N2O.ClH/c1-5-6-7-8-9-10-11-12-15-25-16-17-26(19-25)20-27-24-18-22(4)13-14-23(24)21(2)3;/h16-17,19,21-24H,5-15,18,20H2,1-4H3;1H/q+1;/p-1/t22-,23+,24-;/m1./s1