[(1R)-1-(3,4-dimethylphenyl)-2-(4-methylpentoxy)ethyl]azanium

Systemtic Name: [(1R)-1-(3,4-dimethylphenyl)-2-(4-methylpentoxy)ethyl]azanium Openeye Name: [(1R)-1-(3,4-dimethylphenyl)-2-isohexyloxy-ethyl]ammonium CAS Name: [(1R)-1-(3,4-dimethylphenyl)-2-(4-methylpentoxy)ethyl]ammonium IUPAC Name: [(1R)-1-(3,4-dimethylphenyl)-2-(4-methylpentoxy)ethyl]azanium Traditional Name: [(1R)-1-(3,4-dimethylphenyl)-2-isohexyloxy-ethyl]ammonium Formula: C16H28NO+ MolecularWeight: 250.39962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(COCCCC(C)C)[NH3+])C

Isomeric SMILES

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

InChI

InChI=1S/C16H27NO/c1-12(2)6-5-9-18-11-16(17)15-8-7-13(3)14(4)10-15/h7-8,10,12,16H,5-6,9,11,17H2,1-4H3/p+1/t16-/m0/s1