4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzamidine; citric acid CAS Name: 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: 4-[5-(4-amidinophenoxy)pentoxy]benzamidine; citric acid Formula: C25H32N4O9 MolecularWeight: 532.54298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C19H24N4O2.C6H8O7/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)