[(S)-1,3-benzodioxol-5-yl-(4-ethylphenyl)methyl]azanium

Systemtic Name: [(S)-1,3-benzodioxol-5-yl-(4-ethylphenyl)methyl]azanium Openeye Name: [(S)-1,3-benzodioxol-5-yl-(4-ethylphenyl)methyl]ammonium CAS Name: [(S)-1,3-benzodioxol-5-yl-(4-ethylphenyl)methyl]ammonium IUPAC Name: [(S)-1,3-benzodioxol-5-yl-(4-ethylphenyl)methyl]azanium Traditional Name: [(S)-1,3-benzodioxol-5-yl-(4-ethylphenyl)methyl]ammonium Formula: C16H18NO2+ MolecularWeight: 256.31962

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC3=C(C=C2)OCO3)[NH3+]

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H](C2=CC3=C(C=C2)OCO3)[NH3+]

InChI

InChI=1S/C16H17NO2/c1-2-11-3-5-12(6-4-11)16(17)13-7-8-14-15(9-13)19-10-18-14/h3-9,16H,2,10,17H2,1H3/p+1/t16-/m0/s1