3-[3-[2-(1-benzothiophen-5-yl)ethoxy]propyl]azetidin-3-ol; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 3-[3-[2-(1-benzothiophen-5-yl)ethoxy]propyl]azetidin-3-ol; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 3-[3-[2-(benzothiophen-5-yl)ethoxy]propyl]azetidin-3-ol citrate CAS Name: 3-[3-[2-(1-benzothiophen-5-yl)ethoxy]propyl]-3-azetidinol; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 3-[3-[2-(1-benzothiophen-5-yl)ethoxy]propyl]azetidin-3-ol; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 3-[3-[2-(benzothiophen-5-yl)ethoxy]propyl]azetidin-3-ol citrate Formula: C22H26NO9S-3 MolecularWeight: 480.50814

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN1)(CCCOCCC2=CC3=C(C=C2)SC=C3)O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

C1C(CN1)(CCCOCCC2=CC3=C(C=C2)SC=C3)O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C16H21NO2S.C6H8O7/c18-16(11-17-12-16)6-1-7-19-8-4-13-2-3-15-14(10-13)5-9-20-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-3,5,9-10,17-18H,1,4,6-8,11-12H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3