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

Systemtic Name: [(1S,2S,3S)-2,3-dimethylcyclohexyl]-[(3-ethoxy-2-oxidanyl-phenyl)methyl]azanium Openeye Name: [(1S,2S,3S)-2,3-dimethylcyclohexyl]-[(3-ethoxy-2-hydroxy-phenyl)methyl]ammonium CAS Name: [(1S,2S,3S)-2,3-dimethylcyclohexyl]-[(3-ethoxy-2-hydroxyphenyl)methyl]ammonium IUPAC Name: [(1S,2S,3S)-2,3-dimethylcyclohexyl]-[(3-ethoxy-2-hydroxyphenyl)methyl]azanium Traditional Name: [(1S,2S,3S)-2,3-dimethylcyclohexyl]-(3-ethoxy-2-hydroxy-benzyl)ammonium Formula: C17H28NO2+ MolecularWeight: 278.40972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)C[NH2+]C2CCCC(C2C)C

Isomeric SMILES

CCOC1=CC=CC(=C1O)C[NH2+][C@H]2CCC[C@@H]([C@@H]2C)C

InChI

InChI=1S/C17H27NO2/c1-4-20-16-10-6-8-14(17(16)19)11-18-15-9-5-7-12(2)13(15)3/h6,8,10,12-13,15,18-19H,4-5,7,9,11H2,1-3H3/p+1/t12-,13-,15-/m0/s1