1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-2-oxidanylidene-propyl]-N-propyl-pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-2-oxidanylidene-propyl]-N-propyl-pyridin-1-ium-3-carboxamide Openeye Name: 1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-2-oxo-propyl]-N-propyl-pyridin-1-ium-3-carboxamide CAS Name: 1-[3-[3-[(E)-hydroxyiminomethyl]-1-pyridin-1-iumyl]-2-oxopropyl]-N-propyl-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-2-oxopropyl]-N-propylpyridin-1-ium-3-carboxamide Traditional Name: 1-[3-[3-[(E)-hydroximinomethyl]pyridin-1-ium-1-yl]-2-keto-propyl]-N-propyl-pyridin-1-ium-3-carboxamide Formula: C18H22N4O3+2 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=C[N+](=CC=C1)CC(=O)C[N+]2=CC=CC(=C2)C=NO

Isomeric SMILES

CCCNC(=O)C1=C[N+](=CC=C1)CC(=O)C[N+]2=CC=CC(=C2)/C=N/O

InChI

InChI=1S/C18H20N4O3/c1-2-7-19-18(24)16-6-4-9-22(12-16)14-17(23)13-21-8-3-5-15(11-21)10-20-25/h3-6,8-12H,2,7,13-14H2,1H3/p+2/b20-10+