(2Z)-N-[3-(3-oxidanylpropyl)pyridin-1-ium-1-yl]pyridine-2-carboximidate

Systemtic Name: (2Z)-N-[3-(3-oxidanylpropyl)pyridin-1-ium-1-yl]pyridine-2-carboximidate Openeye Name: (2Z)-N-[3-(3-hydroxypropyl)pyridin-1-ium-1-yl]pyridine-2-carboximidate CAS Name: (2Z)-N-[3-(3-hydroxypropyl)-1-pyridin-1-iumyl]-2-pyridinecarboximidate IUPAC Name: (2Z)-N-[3-(3-hydroxypropyl)pyridin-1-ium-1-yl]pyridine-2-carboximidate Traditional Name: (2Z)-N-[3-(3-hydroxypropyl)pyridin-1-ium-1-yl]pyridine-2-carboximidate Formula: C14H15N3O2 MolecularWeight: 257.2878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C(=N[N+]2=CC=CC(=C2)CCCO)[O-]

Isomeric SMILES

C1=CC=NC(=C1)/C(=N/[N+]2=CC=CC(=C2)CCCO)/[O-]

InChI

InChI=1S/C14H15N3O2/c18-10-4-6-12-5-3-9-17(11-12)16-14(19)13-7-1-2-8-15-13/h1-3,5,7-9,11,18H,4,6,10H2