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

Systemtic Name: 4-tert-butyl-1-[[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxymethyl]pyridin-1-ium Openeye Name: 4-tert-butyl-1-[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]methyl]pyridin-1-ium CAS Name: 4-tert-butyl-1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]pyridin-1-ium IUPAC Name: 4-tert-butyl-1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]pyridin-1-ium Traditional Name: 4-tert-butyl-1-[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]methyl]pyridin-1-ium Formula: C20H34NO+ MolecularWeight: 304.49006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34NO/c1-15(2)18-8-7-16(3)13-19(18)22-14-21-11-9-17(10-12-21)20(4,5)6/h9-12,15-16,18-19H,7-8,13-14H2,1-6H3/q+1/t16-,18+,19-/m1/s1