methyl-[(4-methylsulfanylphenyl)methyl]-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]azanium

Systemtic Name: methyl-[(4-methylsulfanylphenyl)methyl]-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]azanium Openeye Name: (6-hydroxy-1,3-benzodioxol-5-yl)methyl-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: (6-hydroxy-1,3-benzodioxol-5-yl)methyl-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: (6-hydroxy-1,3-benzodioxol-5-yl)methyl-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: (6-hydroxy-1,3-benzodioxol-5-yl)methyl-methyl-[4-(methylthio)benzyl]ammonium Formula: C17H20NO3S+ MolecularWeight: 318.4106

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)SC)CC2=CC3=C(C=C2O)OCO3

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)SC)CC2=CC3=C(C=C2O)OCO3

InChI

InChI=1S/C17H19NO3S/c1-18(9-12-3-5-14(22-2)6-4-12)10-13-7-16-17(8-15(13)19)21-11-20-16/h3-8,19H,9-11H2,1-2H3/p+1