[(1S,2S,4R)-4-tert-butyl-2-(3,4-dimethylphenoxy)cyclohexyl]azanium

Systemtic Name: [(1S,2S,4R)-4-tert-butyl-2-(3,4-dimethylphenoxy)cyclohexyl]azanium Openeye Name: [(1S,2S,4R)-4-tert-butyl-2-(3,4-dimethylphenoxy)cyclohexyl]ammonium CAS Name: [(1S,2S,4R)-4-tert-butyl-2-(3,4-dimethylphenoxy)cyclohexyl]ammonium IUPAC Name: [(1S,2S,4R)-4-tert-butyl-2-(3,4-dimethylphenoxy)cyclohexyl]azanium Traditional Name: [(1S,2S,4R)-4-tert-butyl-2-(3,4-dimethylphenoxy)cyclohexyl]ammonium Formula: C18H30NO+ MolecularWeight: 276.4369

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2CC(CCC2[NH3+])C(C)(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)O[C@H]2C[C@@H](CC[C@@H]2[NH3+])C(C)(C)C)C

InChI

InChI=1S/C18H29NO/c1-12-6-8-15(10-13(12)2)20-17-11-14(18(3,4)5)7-9-16(17)19/h6,8,10,14,16-17H,7,9,11,19H2,1-5H3/p+1/t14-,16+,17+/m1/s1