[(1R)-1-(3,4-dimethylphenyl)-2-[(2S)-4-methylpentan-2-yl]oxy-ethyl]azanium

Systemtic Name: [(1R)-1-(3,4-dimethylphenyl)-2-[(2S)-4-methylpentan-2-yl]oxy-ethyl]azanium Openeye Name: [(1R)-2-[(1S)-1,3-dimethylbutoxy]-1-(3,4-dimethylphenyl)ethyl]ammonium CAS Name: [(1R)-1-(3,4-dimethylphenyl)-2-[(2S)-4-methylpentan-2-yl]oxyethyl]ammonium IUPAC Name: [(1R)-1-(3,4-dimethylphenyl)-2-[(2S)-4-methylpentan-2-yl]oxyethyl]azanium Traditional Name: [(1R)-2-[(1S)-1,3-dimethylbutoxy]-1-(3,4-dimethylphenyl)ethyl]ammonium Formula: C16H28NO+ MolecularWeight: 250.39962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(COC(C)CC(C)C)[NH3+])C

Isomeric SMILES

CC1=C(C=C(C=C1)[C@H](CO[C@@H](C)CC(C)C)[NH3+])C

InChI

InChI=1S/C16H27NO/c1-11(2)8-14(5)18-10-16(17)15-7-6-12(3)13(4)9-15/h6-7,9,11,14,16H,8,10,17H2,1-5H3/p+1/t14-,16-/m0/s1