phenyl-[1-(pyridin-2-ylmethyl)pyridin-1-ium-4-yl]methanone

Systemtic Name: phenyl-[1-(pyridin-2-ylmethyl)pyridin-1-ium-4-yl]methanone Openeye Name: phenyl-[1-(2-pyridylmethyl)pyridin-1-ium-4-yl]methanone CAS Name: phenyl-[1-(2-pyridinylmethyl)-4-pyridin-1-iumyl]methanone IUPAC Name: phenyl-[1-(pyridin-2-ylmethyl)pyridin-1-ium-4-yl]methanone Traditional Name: phenyl-[1-(2-pyridylmethyl)pyridin-1-ium-4-yl]methanone Formula: C18H15N2O+ MolecularWeight: 275.3245

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=[N+](C=C2)CC3=CC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=[N+](C=C2)CC3=CC=CC=N3

InChI

InChI=1S/C18H15N2O/c21-18(15-6-2-1-3-7-15)16-9-12-20(13-10-16)14-17-8-4-5-11-19-17/h1-13H,14H2/q+1