N'-oxidanyl-3-[pyridin-1-ium-4-yl(pyridin-3-ylmethyl)amino]propanimidamide

Systemtic Name: N'-oxidanyl-3-[pyridin-1-ium-4-yl(pyridin-3-ylmethyl)amino]propanimidamide Openeye Name: N'-hydroxy-3-[pyridin-1-ium-4-yl(3-pyridylmethyl)amino]propanamidine CAS Name: N'-hydroxy-3-[4-pyridin-1-iumyl(3-pyridinylmethyl)amino]propanimidamide IUPAC Name: N'-hydroxy-3-[pyridin-1-ium-4-yl(pyridin-3-ylmethyl)amino]propanimidamide Traditional Name: N'-hydroxy-3-[pyridin-1-ium-4-yl(3-pyridylmethyl)amino]propionamidine Formula: C14H18N5O+ MolecularWeight: 272.32562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN(CCC(=NO)N)C2=CC=[NH+]C=C2

Isomeric SMILES

C1=CC(=CN=C1)CN(CC/C(=N\O)/N)C2=CC=[NH+]C=C2

InChI

InChI=1S/C14H17N5O/c15-14(18-20)5-9-19(13-3-7-16-8-4-13)11-12-2-1-6-17-10-12/h1-4,6-8,10,20H,5,9,11H2,(H2,15,18)/p+1