4-[6-(4-carbamimidoylphenoxy)hexoxy]-3-iodanyl-benzenecarboximidamide dihydrochloride

Systemtic Name: 4-[6-(4-carbamimidoylphenoxy)hexoxy]-3-iodanyl-benzenecarboximidamide dihydrochloride Openeye Name: 4-[6-(4-carbamimidoylphenoxy)hexoxy]-3-iodo-benzamidine dihydrochloride CAS Name: 4-[6-(4-carbamimidoylphenoxy)hexoxy]-3-iodobenzenecarboximidamide dihydrochloride IUPAC Name: 4-[6-(4-carbamimidoylphenoxy)hexoxy]-3-iodobenzenecarboximidamide dihydrochloride Traditional Name: 4-[6-(4-amidinophenoxy)hexoxy]-3-iodo-benzamidine dihydrochloride Formula: C20H27Cl2IN4O2 MolecularWeight: 553.26445

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=N)N)OCCCCCCOC2=C(C=C(C=C2)C(=N)N)I.Cl.Cl

Isomeric SMILES

C1=CC(=CC=C1C(=N)N)OCCCCCCOC2=C(C=C(C=C2)C(=N)N)I.Cl.Cl

InChI

InChI=1S/C20H25IN4O2.2ClH/c21-17-13-15(20(24)25)7-10-18(17)27-12-4-2-1-3-11-26-16-8-5-14(6-9-16)19(22)23;;/h5-10,13H,1-4,11-12H2,(H3,22,23)(H3,24,25);2*1H