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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(COC2CCCC(C2)C)[NH3+]

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@@H](CO[C@H]2CCC[C@H](C2)C)[NH3+]

InChI

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