[(1S,2R)-3-methyl-2-[(2S)-octan-2-yl]oxy-1-phenyl-butyl]azanium

Systemtic Name: [(1S,2R)-3-methyl-2-[(2S)-octan-2-yl]oxy-1-phenyl-butyl]azanium Openeye Name: [(1S,2R)-3-methyl-2-[(1S)-1-methylheptoxy]-1-phenyl-butyl]ammonium CAS Name: [(1S,2R)-3-methyl-2-[(2S)-octan-2-yl]oxy-1-phenylbutyl]ammonium IUPAC Name: [(1S,2R)-3-methyl-2-[(2S)-octan-2-yl]oxy-1-phenylbutyl]azanium Traditional Name: [(1S,2R)-3-methyl-2-[(1S)-1-methylheptoxy]-1-phenyl-butyl]ammonium Formula: C19H34NO+ MolecularWeight: 292.47936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(C(C)C)C(C1=CC=CC=C1)[NH3+]

Isomeric SMILES

CCCCCC[C@H](C)O[C@@H]([C@H](C1=CC=CC=C1)[NH3+])C(C)C

InChI

InChI=1S/C19H33NO/c1-5-6-7-9-12-16(4)21-19(15(2)3)18(20)17-13-10-8-11-14-17/h8,10-11,13-16,18-19H,5-7,9,12,20H2,1-4H3/p+1/t16-,18-,19+/m0/s1