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

Systemtic Name: 3-[1-(3-carbamimidoylphenyl)-1,2,3-triazol-4-yl]-4-methoxy-benzenecarboximidamide dihydrochloride Openeye Name: 3-[1-(3-carbamimidoylphenyl)triazol-4-yl]-4-methoxy-benzamidine dihydrochloride CAS Name: 3-[1-(3-carbamimidoylphenyl)-4-triazolyl]-4-methoxybenzenecarboximidamide dihydrochloride IUPAC Name: 3-[1-(3-carbamimidoylphenyl)triazol-4-yl]-4-methoxybenzenecarboximidamide dihydrochloride Traditional Name: 3-[1-(3-amidinophenyl)triazol-4-yl]-4-methoxy-benzamidine dihydrochloride Formula: C17H19Cl2N7O MolecularWeight: 408.28506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=N)N)C2=CN(N=N2)C3=CC=CC(=C3)C(=N)N.Cl.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=N)N)C2=CN(N=N2)C3=CC=CC(=C3)C(=N)N.Cl.Cl

InChI

InChI=1S/C17H17N7O.2ClH/c1-25-15-6-5-11(17(20)21)8-13(15)14-9-24(23-22-14)12-4-2-3-10(7-12)16(18)19;;/h2-9H,1H3,(H3,18,19)(H3,20,21);2*1H