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

Systemtic Name: 3-(3-bromanylthiophen-2-yl)-3-(3-methoxyphenoxy)-N,N-dimethyl-propan-1-amine; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 3-(3-bromo-2-thienyl)-3-(3-methoxyphenoxy)-N,N-dimethyl-propan-1-amine citrate CAS Name: 3-(3-bromo-2-thiophenyl)-3-(3-methoxyphenoxy)-N,N-dimethyl-1-propanamine; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 3-(3-bromothiophen-2-yl)-3-(3-methoxyphenoxy)-N,N-dimethylpropan-1-amine; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: [3-(3-bromo-2-thienyl)-3-(3-methoxyphenoxy)propyl]-dimethyl-amine citrate Formula: C22H25BrNO9S-3 MolecularWeight: 559.4042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrNO2S.C6H8O7/c1-18(2)9-7-15(16-14(17)8-10-21-16)20-13-6-4-5-12(11-13)19-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-6,8,10-11,15H,7,9H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3