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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(2R)-1-[(2-methylsulfanylphenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(1R)-1-methyl-2-(2-methylsulfanylanilino)-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(2R)-1-[2-(methylthio)anilino]-1-oxopropan-2-yl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(2R)-1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]azanium Traditional Name: [(1R)-2-keto-1-methyl-2-[2-(methylthio)anilino]ethyl]-methyl-piperonyl-ammonium Formula: C19H23N2O3S+ MolecularWeight: 359.46252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC)[NH+](C)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1SC)[NH+](C)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H22N2O3S/c1-13(19(22)20-15-6-4-5-7-18(15)25-3)21(2)11-14-8-9-16-17(10-14)24-12-23-16/h4-10,13H,11-12H2,1-3H3,(H,20,22)/p+1/t13-/m1/s1