2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxo-ethyl]ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[2-[methyl-[[4-(methylthio)phenyl]methyl]amino]-2-oxoethyl]ammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]azanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-keto-2-[methyl-[4-(methylthio)benzyl]amino]ethyl]-methyl-ammonium Formula: C21H27N2O3S+ MolecularWeight: 387.51568

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCCO2)CC(=O)N(C)CC3=CC=C(C=C3)SC

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCCO2)CC(=O)N(C)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C21H26N2O3S/c1-22(13-17-6-9-19-20(12-17)26-11-10-25-19)15-21(24)23(2)14-16-4-7-18(27-3)8-5-16/h4-9,12H,10-11,13-15H2,1-3H3/p+1