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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[2-(methylthio)anilino]-2-oxoethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium Traditional Name: cyclopentyl-[2-keto-2-[2-(methylthio)anilino]ethyl]-piperonyl-ammonium Formula: C22H27N2O3S+ MolecularWeight: 399.52638

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C[NH+](CC2=CC3=C(C=C2)OCO3)C4CCCC4

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C[NH+](CC2=CC3=C(C=C2)OCO3)C4CCCC4

InChI

InChI=1S/C22H26N2O3S/c1-28-21-9-5-4-8-18(21)23-22(25)14-24(17-6-2-3-7-17)13-16-10-11-19-20(12-16)27-15-26-19/h4-5,8-12,17H,2-3,6-7,13-15H2,1H3,(H,23,25)/p+1