(Z)-N-[N'-(5-chloranylpyridin-2-yl)-N-pyridin-1-ium-1-yl-carbamimidoyl]benzenecarboximidate

Systemtic Name: (Z)-N-[N'-(5-chloranylpyridin-2-yl)-N-pyridin-1-ium-1-yl-carbamimidoyl]benzenecarboximidate Openeye Name: (Z)-N-[N'-(5-chloro-2-pyridyl)-N-pyridin-1-ium-1-yl-carbamimidoyl]benzenecarboximidate CAS Name: (Z)-N-[(5-chloro-2-pyridinyl)imino-(1-pyridin-1-iumylamino)methyl]benzenecarboximidate IUPAC Name: (Z)-N-[N'-(5-chloropyridin-2-yl)-N-pyridin-1-ium-1-ylcarbamimidoyl]benzenecarboximidate Traditional Name: (Z)-N-[N'-(5-chloro-2-pyridyl)-N-pyridin-1-ium-1-yl-amidino]benzenecarboximidate Formula: C18H14ClN5O MolecularWeight: 351.78966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=NC(=NC2=NC=C(C=C2)Cl)N[N+]3=CC=CC=C3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)/C(=N/C(=NC2=NC=C(C=C2)Cl)N[N+]3=CC=CC=C3)/[O-]

InChI

InChI=1S/C18H14ClN5O/c19-15-9-10-16(20-13-15)21-18(23-24-11-5-2-6-12-24)22-17(25)14-7-3-1-4-8-14/h1-13H,(H-,20,21,22,23,25)