[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[4-(methylthio)benzyl]ammonium Formula: C17H20NO2S+ MolecularWeight: 302.4112

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH2+]CC2COC3=CC=CC=C3O2

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH2+]C[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C17H19NO2S/c1-21-15-8-6-13(7-9-15)10-18-11-14-12-19-16-4-2-3-5-17(16)20-14/h2-9,14,18H,10-12H2,1H3/p+1/t14-/m0/s1