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

Systemtic Name: [(1S)-2-(4-methylpentoxy)-1-(4-propoxyphenyl)ethyl]azanium Openeye Name: [(1S)-2-isohexyloxy-1-(4-propoxyphenyl)ethyl]ammonium CAS Name: [(1S)-2-(4-methylpentoxy)-1-(4-propoxyphenyl)ethyl]ammonium IUPAC Name: [(1S)-2-(4-methylpentoxy)-1-(4-propoxyphenyl)ethyl]azanium Traditional Name: [(1S)-2-isohexyloxy-1-(4-propoxyphenyl)ethyl]ammonium Formula: C17H30NO2+ MolecularWeight: 280.4256

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(COCCCC(C)C)[NH3+]

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@@H](COCCCC(C)C)[NH3+]

InChI

InChI=1S/C17H29NO2/c1-4-11-20-16-9-7-15(8-10-16)17(18)13-19-12-5-6-14(2)3/h7-10,14,17H,4-6,11-13,18H2,1-3H3/p+1/t17-/m1/s1