[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-phenethyl-azanium

Systemtic Name: [(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-phenethyl-azanium Openeye Name: [(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-phenethyl-ammonium CAS Name: [(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-phenethylammonium IUPAC Name: [(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-phenethylazanium Traditional Name: [(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-phenethyl-ammonium Formula: C17H20NO2+ MolecularWeight: 270.3462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)[NH2+]CCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCO2)[NH2+]CCC3=CC=CC=C3

InChI

InChI=1S/C17H19NO2/c1-13(18-10-9-14-5-3-2-4-6-14)15-7-8-16-17(11-15)20-12-19-16/h2-8,11,13,18H,9-10,12H2,1H3/p+1/t13-/m0/s1