3-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-N-methyl-3-thiophen-2-yl-propan-1-amine; ethanedioic acid

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-N-methyl-3-thiophen-2-yl-propan-1-amine; ethanedioic acid Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-N-methyl-3-(2-thienyl)propan-1-amine; oxalic acid CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-N-methyl-3-thiophen-2-yl-1-propanamine; oxalic acid IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine; oxalic acid Traditional Name: [3-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-3-(2-thienyl)propyl]-methyl-amine; oxalic acid Formula: C18H21NO7S MolecularWeight: 395.42684

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Descriptors Computed from Structure

Canonical SMILES:

CNCCC(C1=CC=CS1)OC2=CC=CC3=C2OCCO3.C(=O)(C(=O)O)O

Isomeric SMILES

CNCCC(C1=CC=CS1)OC2=CC=CC3=C2OCCO3.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H19NO3S.C2H2O4/c1-17-8-7-12(15-6-3-11-21-15)20-14-5-2-4-13-16(14)19-10-9-18-13;3-1(4)2(5)6/h2-6,11-12,17H,7-10H2,1H3;(H,3,4)(H,5,6)