4-[[6-(4-carbamimidoylphenyl)pyridin-3-yl]methyl]benzenecarboximidamide; ethanoic acid

Systemtic Name: 4-[[6-(4-carbamimidoylphenyl)pyridin-3-yl]methyl]benzenecarboximidamide; ethanoic acid Openeye Name: acetic acid; 4-[[6-(4-carbamimidoylphenyl)-3-pyridyl]methyl]benzamidine CAS Name: acetic acid; 4-[[6-(4-carbamimidoylphenyl)-3-pyridinyl]methyl]benzenecarboximidamide IUPAC Name: acetic acid; 4-[[6-(4-carbamimidoylphenyl)pyridin-3-yl]methyl]benzenecarboximidamide Traditional Name: acetic acid; 4-[[6-(4-amidinophenyl)-3-pyridyl]methyl]benzamidine Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC(=CC=C1CC2=CN=C(C=C2)C3=CC=C(C=C3)C(=N)N)C(=N)N

Isomeric SMILES

CC(=O)O.C1=CC(=CC=C1CC2=CN=C(C=C2)C3=CC=C(C=C3)C(=N)N)C(=N)N

InChI

InChI=1S/C20H19N5.C2H4O2/c21-19(22)16-4-1-13(2-5-16)11-14-3-10-18(25-12-14)15-6-8-17(9-7-15)20(23)24;1-2(3)4/h1-10,12H,11H2,(H3,21,22)(H3,23,24);1H3,(H,3,4)