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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-[2-(cyanomethylthio)anilino]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl]-methylazanium Traditional Name: [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl]-methyl-piperonyl-ammonium Formula: C19H20N3O3S+ MolecularWeight: 370.4454

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C19H19N3O3S/c1-22(11-14-6-7-16-17(10-14)25-13-24-16)12-19(23)21-15-4-2-3-5-18(15)26-9-8-20/h2-7,10H,9,11-13H2,1H3,(H,21,23)/p+1