[(1S,2S,3S)-2,3-dimethylcyclohexyl]-[(3-methoxy-2-oxidanyl-phenyl)methyl]azanium

Systemtic Name: [(1S,2S,3S)-2,3-dimethylcyclohexyl]-[(3-methoxy-2-oxidanyl-phenyl)methyl]azanium Openeye Name: [(1S,2S,3S)-2,3-dimethylcyclohexyl]-[(2-hydroxy-3-methoxy-phenyl)methyl]ammonium CAS Name: [(1S,2S,3S)-2,3-dimethylcyclohexyl]-[(2-hydroxy-3-methoxyphenyl)methyl]ammonium IUPAC Name: [(1S,2S,3S)-2,3-dimethylcyclohexyl]-[(2-hydroxy-3-methoxyphenyl)methyl]azanium Traditional Name: [(1S,2S,3S)-2,3-dimethylcyclohexyl]-(2-hydroxy-3-methoxy-benzyl)ammonium Formula: C16H26NO2+ MolecularWeight: 264.38314

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)[NH2+]CC2=C(C(=CC=C2)OC)O

Isomeric SMILES

C[C@H]1CCC[C@@H]([C@H]1C)[NH2+]CC2=C(C(=CC=C2)OC)O

InChI

InChI=1S/C16H25NO2/c1-11-6-4-8-14(12(11)2)17-10-13-7-5-9-15(19-3)16(13)18/h5,7,9,11-12,14,17-18H,4,6,8,10H2,1-3H3/p+1/t11-,12-,14-/m0/s1