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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[2-(methylthio)anilino]-2-oxoethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium Traditional Name: [2-keto-2-[2-(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=CC=C3SC

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=CC=CC=C3SC

InChI

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