[(1S)-1-(2-ethoxyphenyl)-2-(4-methylpentoxy)ethyl]azanium

Systemtic Name: [(1S)-1-(2-ethoxyphenyl)-2-(4-methylpentoxy)ethyl]azanium Openeye Name: [(1S)-1-(2-ethoxyphenyl)-2-isohexyloxy-ethyl]ammonium CAS Name: [(1S)-1-(2-ethoxyphenyl)-2-(4-methylpentoxy)ethyl]ammonium IUPAC Name: [(1S)-1-(2-ethoxyphenyl)-2-(4-methylpentoxy)ethyl]azanium Traditional Name: [(1S)-2-isohexyloxy-1-o-phenetyl-ethyl]ammonium Formula: C16H28NO2+ MolecularWeight: 266.39902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(COCCCC(C)C)[NH3+]

Isomeric SMILES

CCOC1=CC=CC=C1[C@@H](COCCCC(C)C)[NH3+]

InChI

InChI=1S/C16H27NO2/c1-4-19-16-10-6-5-9-14(16)15(17)12-18-11-7-8-13(2)3/h5-6,9-10,13,15H,4,7-8,11-12,17H2,1-3H3/p+1/t15-/m1/s1