2-oxidanylpropane-1,2,3-tricarboxylate; 1-[2-(4-phenylpiperazin-1-yl)ethyl]urea

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylate; 1-[2-(4-phenylpiperazin-1-yl)ethyl]urea Openeye Name: 2-(4-phenylpiperazin-1-yl)ethylurea citrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; 2-(4-phenyl-1-piperazinyl)ethylurea IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; 2-(4-phenylpiperazin-1-yl)ethylurea Traditional Name: 2-(4-phenylpiperazino)ethylurea citrate Formula: C19H25N4O8-3 MolecularWeight: 437.4238

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC(=O)N)C2=CC=CC=C2.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

C1CN(CCN1CCNC(=O)N)C2=CC=CC=C2.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C13H20N4O.C6H8O7/c14-13(18)15-6-7-16-8-10-17(11-9-16)12-4-2-1-3-5-12;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-5H,6-11H2,(H3,14,15,18);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3