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

Systemtic Name: N,N-dimethyl-1-[[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxymethyl]pyridin-1-ium-4-amine chloride Openeye Name: 1-[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]methyl]-N,N-dimethyl-pyridin-1-ium-4-amine chloride CAS Name: N,N-dimethyl-1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-4-pyridin-1-iumamine chloride IUPAC Name: N,N-dimethyl-1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]pyridin-1-ium-4-amine chloride Traditional Name: [1-[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]methyl]pyridin-1-ium-4-yl]-dimethyl-amine chloride Formula: C18H31ClN2O MolecularWeight: 326.90454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31N2O.ClH/c1-14(2)17-7-6-15(3)12-18(17)21-13-20-10-8-16(9-11-20)19(4)5;/h8-11,14-15,17-18H,6-7,12-13H2,1-5H3;1H/q+1;/p-1/t15-,17+,18-;/m1./s1