[(1S,2S,4R)-4-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]cyclohexyl]azanium

Systemtic Name: [(1S,2S,4R)-4-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]cyclohexyl]azanium Openeye Name: [(1S,2S,4R)-2-[4-(1,1-dimethylpropyl)phenoxy]-4-methyl-cyclohexyl]ammonium CAS Name: [(1S,2S,4R)-4-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]cyclohexyl]ammonium IUPAC Name: [(1S,2S,4R)-4-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]cyclohexyl]azanium Traditional Name: [(1S,2S,4R)-2-(4-tert-amylphenoxy)-4-methyl-cyclohexyl]ammonium Formula: C18H30NO+ MolecularWeight: 276.4369

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OC2CC(CCC2[NH3+])C

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)O[C@H]2C[C@@H](CC[C@@H]2[NH3+])C

InChI

InChI=1S/C18H29NO/c1-5-18(3,4)14-7-9-15(10-8-14)20-17-12-13(2)6-11-16(17)19/h7-10,13,16-17H,5-6,11-12,19H2,1-4H3/p+1/t13-,16+,17+/m1/s1