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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-[2-(phenylthio)anilino]ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]azanium Traditional Name: [2-keto-2-[2-(phenylthio)anilino]ethyl]-methyl-piperonyl-ammonium Formula: C23H23N2O3S+ MolecularWeight: 407.50532

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=CC=CC=C3SC4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=CC=CC=C3SC4=CC=CC=C4

InChI

InChI=1S/C23H22N2O3S/c1-25(14-17-11-12-20-21(13-17)28-16-27-20)15-23(26)24-19-9-5-6-10-22(19)29-18-7-3-2-4-8-18/h2-13H,14-16H2,1H3,(H,24,26)/p+1