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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27NO2/c1-4-19-15-9-7-14(8-10-15)16(17)12-18-11-5-6-13(2)3/h7-10,13,16H,4-6,11-12,17H2,1-3H3/p+1/t16-/m1/s1