2-[3-[3-(4-carbamimidoylphenoxy)propoxy]phenyl]-1-benzofuran-6-carboximidamide dihydrochloride

Systemtic Name: 2-[3-[3-(4-carbamimidoylphenoxy)propoxy]phenyl]-1-benzofuran-6-carboximidamide dihydrochloride Openeye Name: 2-[3-[3-(4-carbamimidoylphenoxy)propoxy]phenyl]benzofuran-6-carboxamidine dihydrochloride CAS Name: 2-[3-[3-(4-carbamimidoylphenoxy)propoxy]phenyl]-6-benzofurancarboximidamide dihydrochloride IUPAC Name: 2-[3-[3-(4-carbamimidoylphenoxy)propoxy]phenyl]-1-benzofuran-6-carboximidamide dihydrochloride Traditional Name: 2-[3-[3-(4-amidinophenoxy)propoxy]phenyl]benzofuran-6-carboxamidine dihydrochloride Formula: C25H26Cl2N4O3 MolecularWeight: 501.40494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCCCOC2=CC=C(C=C2)C(=N)N)C3=CC4=C(O3)C=C(C=C4)C(=N)N.Cl.Cl

Isomeric SMILES

C1=CC(=CC(=C1)OCCCOC2=CC=C(C=C2)C(=N)N)C3=CC4=C(O3)C=C(C=C4)C(=N)N.Cl.Cl

InChI

InChI=1S/C25H24N4O3.2ClH/c26-24(27)16-7-9-20(10-8-16)30-11-2-12-31-21-4-1-3-17(13-21)22-14-18-5-6-19(25(28)29)15-23(18)32-22;;/h1,3-10,13-15H,2,11-12H2,(H3,26,27)(H3,28,29);2*1H