[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C20H25N2O3S+ MolecularWeight: 373.4891

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)[NH+](C)CC3=CC=C(C=C3)SC

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)[NH+](C)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C20H24N2O3S/c1-14(22(2)12-15-4-7-17(26-3)8-5-15)20(23)21-11-16-6-9-18-19(10-16)25-13-24-18/h4-10,14H,11-13H2,1-3H3,(H,21,23)/p+1/t14-/m1/s1