N'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,N-dimethyl-1-thiophen-2-yl-ethane-1,2-diamine; ethanedioic acid

Systemtic Name: N'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,N-dimethyl-1-thiophen-2-yl-ethane-1,2-diamine; ethanedioic acid Openeye Name: N'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,N-dimethyl-1-(2-thienyl)ethane-1,2-diamine; oxalic acid CAS Name: N'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine; oxalic acid IUPAC Name: N'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine; oxalic acid Traditional Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1-(2-thienyl)ethyl]-dimethyl-amine; oxalic acid Formula: C21H26N2O10S MolecularWeight: 498.50354

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNCC1=CC2=C(C=C1)OCCO2)C3=CC=CS3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)C(CNCC1=CC2=C(C=C1)OCCO2)C3=CC=CS3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H22N2O2S.2C2H2O4/c1-19(2)14(17-4-3-9-22-17)12-18-11-13-5-6-15-16(10-13)21-8-7-20-15;2*3-1(4)2(5)6/h3-6,9-10,14,18H,7-8,11-12H2,1-2H3;2*(H,3,4)(H,5,6)