4-[[3-[(4-carbamimidoyl-2-iodanyl-phenoxy)methyl]phenyl]methoxy]-3-iodanyl-benzenecarboximidamide hydrochloride

Systemtic Name: 4-[[3-[(4-carbamimidoyl-2-iodanyl-phenoxy)methyl]phenyl]methoxy]-3-iodanyl-benzenecarboximidamide hydrochloride Openeye Name: 4-[[3-[(4-carbamimidoyl-2-iodo-phenoxy)methyl]phenyl]methoxy]-3-iodo-benzamidine hydrochloride CAS Name: 4-[[3-[(4-carbamimidoyl-2-iodophenoxy)methyl]phenyl]methoxy]-3-iodobenzenecarboximidamide hydrochloride IUPAC Name: 4-[[3-[(4-carbamimidoyl-2-iodophenoxy)methyl]phenyl]methoxy]-3-iodobenzenecarboximidamide hydrochloride Traditional Name: 4-[3-[(4-amidino-2-iodo-phenoxy)methyl]benzyl]oxy-3-iodo-benzamidine hydrochloride Formula: C22H21ClI2N4O2 MolecularWeight: 662.68968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)COC2=C(C=C(C=C2)C(=N)N)I)COC3=C(C=C(C=C3)C(=N)N)I.Cl

Isomeric SMILES

C1=CC(=CC(=C1)COC2=C(C=C(C=C2)C(=N)N)I)COC3=C(C=C(C=C3)C(=N)N)I.Cl

InChI

InChI=1S/C22H20I2N4O2.ClH/c23-17-9-15(21(25)26)4-6-19(17)29-11-13-2-1-3-14(8-13)12-30-20-7-5-16(22(27)28)10-18(20)24;/h1-10H,11-12H2,(H3,25,26)(H3,27,28);1H