N-[3-(phenylmethyl)pyridin-1-ium-1-yl]pyridine-4-carboxamide

Systemtic Name: N-[3-(phenylmethyl)pyridin-1-ium-1-yl]pyridine-4-carboxamide Openeye Name: N-(3-benzylpyridin-1-ium-1-yl)pyridine-4-carboxamide CAS Name: N-[3-(phenylmethyl)-1-pyridin-1-iumyl]-4-pyridinecarboxamide IUPAC Name: N-(3-benzylpyridin-1-ium-1-yl)pyridine-4-carboxamide Traditional Name: N-(3-benzylpyridin-1-ium-1-yl)isonicotinamide Formula: C18H16N3O+ MolecularWeight: 290.33914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C[N+](=CC=C2)NC(=O)C3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC2=C[N+](=CC=C2)NC(=O)C3=CC=NC=C3

InChI

InChI=1S/C18H15N3O/c22-18(17-8-10-19-11-9-17)20-21-12-4-7-16(14-21)13-15-5-2-1-3-6-15/h1-12,14H,13H2/p+1