[4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [4-[[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [4-[[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [4-[[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]methyl]phenyl]methyl-diethylazanium Traditional Name: [4-[[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]amino]methyl]benzyl]-diethyl-ammonium Formula: C22H29N2O3S+ MolecularWeight: 401.54226

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CSC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CSC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C22H28N2O3S/c1-3-24(4-2)15-18-7-5-17(6-8-18)14-23-22(25)16-28-19-9-10-20-21(13-19)27-12-11-26-20/h5-10,13H,3-4,11-12,14-16H2,1-2H3,(H,23,25)/p+1