1,3-benzodioxol-5-ylmethyl-[(1S)-1-(4-methylsulfanylphenyl)ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(4-methylsulfanylphenyl)ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(4-methylsulfanylphenyl)ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-[4-(methylthio)phenyl]ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(4-methylsulfanylphenyl)ethyl]azanium Traditional Name: [(1S)-1-[4-(methylthio)phenyl]ethyl]-piperonyl-ammonium Formula: C17H20NO2S+ MolecularWeight: 302.4112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)SC)[NH2+]CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)SC)[NH2+]CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H19NO2S/c1-12(14-4-6-15(21-2)7-5-14)18-10-13-3-8-16-17(9-13)20-11-19-16/h3-9,12,18H,10-11H2,1-2H3/p+1/t12-/m0/s1