[(1S,2S,4S)-4-(2-methylbutan-2-yl)-2-(3-methylphenoxy)cyclohexyl]azanium

Systemtic Name: [(1S,2S,4S)-4-(2-methylbutan-2-yl)-2-(3-methylphenoxy)cyclohexyl]azanium Openeye Name: [(1S,2S,4S)-4-(1,1-dimethylpropyl)-2-(3-methylphenoxy)cyclohexyl]ammonium CAS Name: [(1S,2S,4S)-4-(2-methylbutan-2-yl)-2-(3-methylphenoxy)cyclohexyl]ammonium IUPAC Name: [(1S,2S,4S)-4-(2-methylbutan-2-yl)-2-(3-methylphenoxy)cyclohexyl]azanium Traditional Name: [(1S,2S,4S)-4-tert-amyl-2-(3-methylphenoxy)cyclohexyl]ammonium Formula: C18H30NO+ MolecularWeight: 276.4369

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC(C(C1)OC2=CC=CC(=C2)C)[NH3+]

Isomeric SMILES

CCC(C)(C)[C@H]1CC[C@@H]([C@H](C1)OC2=CC=CC(=C2)C)[NH3+]

InChI

InChI=1S/C18H29NO/c1-5-18(3,4)14-9-10-16(19)17(12-14)20-15-8-6-7-13(2)11-15/h6-8,11,14,16-17H,5,9-10,12,19H2,1-4H3/p+1/t14-,16-,17-/m0/s1