4-[1-(4-carbamimidoylphenyl)-2-(pyridin-2-ylmethyl)imidazol-4-yl]benzenecarboximidamide trihydrochloride

Systemtic Name: 4-[1-(4-carbamimidoylphenyl)-2-(pyridin-2-ylmethyl)imidazol-4-yl]benzenecarboximidamide trihydrochloride Openeye Name: 4-[1-(4-carbamimidoylphenyl)-2-(2-pyridylmethyl)imidazol-4-yl]benzamidine trihydrochloride CAS Name: 4-[1-(4-carbamimidoylphenyl)-2-(2-pyridinylmethyl)-4-imidazolyl]benzenecarboximidamide trihydrochloride IUPAC Name: 4-[1-(4-carbamimidoylphenyl)-2-(pyridin-2-ylmethyl)imidazol-4-yl]benzenecarboximidamide trihydrochloride Traditional Name: 4-[1-(4-amidinophenyl)-2-(2-pyridylmethyl)imidazol-4-yl]benzamidine trihydrochloride Formula: C23H24Cl3N7 MolecularWeight: 504.84256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CC2=NC(=CN2C3=CC=C(C=C3)C(=N)N)C4=CC=C(C=C4)C(=N)N.Cl.Cl.Cl

Isomeric SMILES

C1=CC=NC(=C1)CC2=NC(=CN2C3=CC=C(C=C3)C(=N)N)C4=CC=C(C=C4)C(=N)N.Cl.Cl.Cl

InChI

InChI=1S/C23H21N7.3ClH/c24-22(25)16-6-4-15(5-7-16)20-14-30(19-10-8-17(9-11-19)23(26)27)21(29-20)13-18-3-1-2-12-28-18;;;/h1-12,14H,13H2,(H3,24,25)(H3,26,27);3*1H