1-[[2-[(E)-hydroxyiminomethyl]-1,2-dihydropyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-4-carboxamide dichloride

Systemtic Name: 1-[[2-[(E)-hydroxyiminomethyl]-1,2-dihydropyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-4-carboxamide dichloride Openeye Name: 1-[[2-[(E)-hydroxyiminomethyl]-1,2-dihydropyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-4-carboxamide dichloride CAS Name: 1-[[2-[(E)-hydroxyiminomethyl]-1,2-dihydropyridin-1-ium-1-yl]methoxymethyl]-4-pyridin-1-iumcarboxamide dichloride IUPAC Name: 1-[[2-[(E)-hydroxyiminomethyl]-1,2-dihydropyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-4-carboxamide dichloride Traditional Name: 1-[[2-[(E)-hydroximinomethyl]-1,2-dihydropyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-4-carboxamide dichloride Formula: C14H18Cl2N4O3 MolecularWeight: 361.22372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC([NH+](C=C1)COC[N+]2=CC=C(C=C2)C(=O)N)C=NO.[Cl-].[Cl-]

Isomeric SMILES

C1=CC([NH+](C=C1)COC[N+]2=CC=C(C=C2)C(=O)N)/C=N/O.[Cl-].[Cl-]

InChI

InChI=1S/C14H16N4O3.2ClH/c15-14(19)12-4-7-17(8-5-12)10-21-11-18-6-2-1-3-13(18)9-16-20;;/h1-9,13H,10-11H2,(H2-,15,19,20);2*1H/b16-9+;;