[(1S,2S,4S)-4-ethyl-2-(3-methyl-4-propan-2-yl-phenoxy)cyclohexyl]azanium

Systemtic Name: [(1S,2S,4S)-4-ethyl-2-(3-methyl-4-propan-2-yl-phenoxy)cyclohexyl]azanium Openeye Name: [(1S,2S,4S)-4-ethyl-2-(4-isopropyl-3-methyl-phenoxy)cyclohexyl]ammonium CAS Name: [(1S,2S,4S)-4-ethyl-2-(3-methyl-4-propan-2-ylphenoxy)cyclohexyl]ammonium IUPAC Name: [(1S,2S,4S)-4-ethyl-2-(3-methyl-4-propan-2-ylphenoxy)cyclohexyl]azanium Traditional Name: [(1S,2S,4S)-4-ethyl-2-(4-isopropyl-3-methyl-phenoxy)cyclohexyl]ammonium Formula: C18H30NO+ MolecularWeight: 276.4369

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(C(C1)OC2=CC(=C(C=C2)C(C)C)C)[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO/c1-5-14-6-9-17(19)18(11-14)20-15-7-8-16(12(2)3)13(4)10-15/h7-8,10,12,14,17-18H,5-6,9,11,19H2,1-4H3/p+1/t14-,17-,18-/m0/s1