3-(4-methoxyphenoxy)-N,N-dimethyl-3-thiophen-2-yl-propan-1-amine; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 3-(4-methoxyphenoxy)-N,N-dimethyl-3-thiophen-2-yl-propan-1-amine; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 3-(4-methoxyphenoxy)-N,N-dimethyl-3-(2-thienyl)propan-1-amine citrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; 3-(4-methoxyphenoxy)-N,N-dimethyl-3-thiophen-2-yl-1-propanamine IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; 3-(4-methoxyphenoxy)-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine Traditional Name: [3-(4-methoxyphenoxy)-3-(2-thienyl)propyl]-dimethyl-amine citrate Formula: C22H26NO9S-3 MolecularWeight: 480.50814

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(C1=CC=CS1)OC2=CC=C(C=C2)OC.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CN(C)CCC(C1=CC=CS1)OC2=CC=C(C=C2)OC.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C16H21NO2S.C6H8O7/c1-17(2)11-10-15(16-5-4-12-20-16)19-14-8-6-13(18-3)7-9-14;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-9,12,15H,10-11H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3