4-[1-(4-carbamimidoylphenyl)-1,2,3-triazol-4-yl]-3-oxidanyl-benzenecarboximidamide dihydrochloride

Systemtic Name: 4-[1-(4-carbamimidoylphenyl)-1,2,3-triazol-4-yl]-3-oxidanyl-benzenecarboximidamide dihydrochloride Openeye Name: 4-[1-(4-carbamimidoylphenyl)triazol-4-yl]-3-hydroxy-benzamidine dihydrochloride CAS Name: 4-[1-(4-carbamimidoylphenyl)-4-triazolyl]-3-hydroxybenzenecarboximidamide dihydrochloride IUPAC Name: 4-[1-(4-carbamimidoylphenyl)triazol-4-yl]-3-hydroxybenzenecarboximidamide dihydrochloride Traditional Name: 4-[1-(4-amidinophenyl)triazol-4-yl]-3-hydroxy-benzamidine dihydrochloride Formula: C16H17Cl2N7O MolecularWeight: 394.25848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=N)N)N2C=C(N=N2)C3=C(C=C(C=C3)C(=N)N)O.Cl.Cl

Isomeric SMILES

C1=CC(=CC=C1C(=N)N)N2C=C(N=N2)C3=C(C=C(C=C3)C(=N)N)O.Cl.Cl

InChI

InChI=1S/C16H15N7O.2ClH/c17-15(18)9-1-4-11(5-2-9)23-8-13(21-22-23)12-6-3-10(16(19)20)7-14(12)24;;/h1-8,24H,(H3,17,18)(H3,19,20);2*1H