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

Systemtic Name: 4-ethyl-1-[[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxymethyl]pyridin-1-ium chloride Openeye Name: 4-ethyl-1-[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]methyl]pyridin-1-ium chloride CAS Name: 4-ethyl-1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]pyridin-1-ium chloride IUPAC Name: 4-ethyl-1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]pyridin-1-ium chloride Traditional Name: 4-ethyl-1-[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]methyl]pyridin-1-ium chloride Formula: C18H30ClNO MolecularWeight: 311.8899

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=[N+](C=C1)COC2CC(CCC2C(C)C)C.[Cl-]

Isomeric SMILES

CCC1=CC=[N+](C=C1)CO[C@@H]2C[C@@H](CC[C@H]2C(C)C)C.[Cl-]

InChI

InChI=1S/C18H30NO.ClH/c1-5-16-8-10-19(11-9-16)13-20-18-12-15(4)6-7-17(18)14(2)3;/h8-11,14-15,17-18H,5-7,12-13H2,1-4H3;1H/q+1;/p-1/t15-,17+,18-;/m1./s1