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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CNC1OCCC2=CC3=C(C=C2)SC=C3)O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCCC1(CNC1OCCC2=CC3=C(C=C2)SC=C3)O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C16H21NO2S.C6H8O7/c1-2-7-16(18)11-17-15(16)19-8-5-12-3-4-14-13(10-12)6-9-20-14;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-4,6,9-10,15,17-18H,2,5,7-8,11H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3