1,3-benzodioxol-5-ylmethyl-methyl-[2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-(4-methylsulfanylanilino)-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[4-(methylthio)anilino]-2-oxoethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-(4-methylsulfanylanilino)-2-oxoethyl]azanium Traditional Name: [2-keto-2-[4-(methylthio)anilino]ethyl]-methyl-piperonyl-ammonium Formula: C18H21N2O3S+ MolecularWeight: 345.43594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=CC=C(C=C3)SC

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=CC=C(C=C3)SC

InChI

InChI=1S/C18H20N2O3S/c1-20(10-13-3-8-16-17(9-13)23-12-22-16)11-18(21)19-14-4-6-15(24-2)7-5-14/h3-9H,10-12H2,1-2H3,(H,19,21)/p+1