[(1S)-2-[(1S,3R)-3-methylcyclohexyl]oxy-1-(4-propan-2-yloxyphenyl)ethyl]azanium

Systemtic Name: [(1S)-2-[(1S,3R)-3-methylcyclohexyl]oxy-1-(4-propan-2-yloxyphenyl)ethyl]azanium Openeye Name: [(1S)-1-(4-isopropoxyphenyl)-2-[(1S,3R)-3-methylcyclohexoxy]ethyl]ammonium CAS Name: [(1S)-2-[(1S,3R)-3-methylcyclohexyl]oxy-1-(4-propan-2-yloxyphenyl)ethyl]ammonium IUPAC Name: [(1S)-2-[(1S,3R)-3-methylcyclohexyl]oxy-1-(4-propan-2-yloxyphenyl)ethyl]azanium Traditional Name: [(1S)-1-(4-isopropoxyphenyl)-2-[(1S,3R)-3-methylcyclohexoxy]ethyl]ammonium Formula: C18H30NO2+ MolecularWeight: 292.4363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)OCC(C2=CC=C(C=C2)OC(C)C)[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO2/c1-13(2)21-16-9-7-15(8-10-16)18(19)12-20-17-6-4-5-14(3)11-17/h7-10,13-14,17-18H,4-6,11-12,19H2,1-3H3/p+1/t14-,17+,18-/m1/s1