[(1S)-2-[(2R)-4-methylpentan-2-yl]oxy-1-(4-propoxyphenyl)ethyl]azanium

Systemtic Name: [(1S)-2-[(2R)-4-methylpentan-2-yl]oxy-1-(4-propoxyphenyl)ethyl]azanium Openeye Name: [(1S)-2-[(1R)-1,3-dimethylbutoxy]-1-(4-propoxyphenyl)ethyl]ammonium CAS Name: [(1S)-2-[(2R)-4-methylpentan-2-yl]oxy-1-(4-propoxyphenyl)ethyl]ammonium IUPAC Name: [(1S)-2-[(2R)-4-methylpentan-2-yl]oxy-1-(4-propoxyphenyl)ethyl]azanium Traditional Name: [(1S)-2-[(1R)-1,3-dimethylbutoxy]-1-(4-propoxyphenyl)ethyl]ammonium Formula: C17H30NO2+ MolecularWeight: 280.4256

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(COC(C)CC(C)C)[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C17H29NO2/c1-5-10-19-16-8-6-15(7-9-16)17(18)12-20-14(4)11-13(2)3/h6-9,13-14,17H,5,10-12,18H2,1-4H3/p+1/t14-,17-/m1/s1