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2-(3,4-dimethoxyphenyl)ethyl-[(5-ethylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]-methyl-azanium

2-(3,4-dimethoxyphenyl)ethyl-[(5-ethylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]-methyl-azanium

Systemtic Name:2-(3,4-dimethoxyphenyl)ethyl-[(5-ethylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]-methyl-azanium
Openeye Name:2-(3,4-dimethoxyphenyl)ethyl-[(5-ethylsulfonyl-2-thioxo-1,3-benzoxazol-3-yl)methyl]-methyl-ammonium
CAS Name:2-(3,4-dimethoxyphenyl)ethyl-[(5-ethylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]-methylammonium
IUPAC Name:2-(3,4-dimethoxyphenyl)ethyl-[(5-ethylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]-methylazanium
Traditional Name:(5-esyl-2-thioxo-1,3-benzoxazol-3-yl)methyl-homoveratryl-methyl-ammonium
Formula: C21H27N2O5S2+
MolecularWeight: 451.57948
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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2C[NH+](C)CCC3=CC(=C(C=C3)OC)OC


Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2C[NH+](C)CCC3=CC(=C(C=C3)OC)OC


InChI

InChI=1S/C21H26N2O5S2/c1-5-30(24,25)16-7-9-18-17(13-16)23(21(29)28-18)14-22(2)11-10-15-6-8-19(26-3)20(12-15)27-4/h6-9,12-13H,5,10-11,14H2,1-4H3/p+1


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