1-[1-[(4-nitrophenyl)methyl]pyridin-1-ium-3-yl]ethanone

Systemtic Name: 1-[1-[(4-nitrophenyl)methyl]pyridin-1-ium-3-yl]ethanone Openeye Name: 1-[1-[(4-nitrophenyl)methyl]pyridin-1-ium-3-yl]ethanone CAS Name: 1-[1-[(4-nitrophenyl)methyl]-3-pyridin-1-iumyl]ethanone IUPAC Name: 1-[1-[(4-nitrophenyl)methyl]pyridin-1-ium-3-yl]ethanone Traditional Name: 1-[1-(4-nitrobenzyl)pyridin-1-ium-3-yl]ethanone Formula: C14H13N2O3+ MolecularWeight: 257.26462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N2O3/c1-11(17)13-3-2-8-15(10-13)9-12-4-6-14(7-5-12)16(18)19/h2-8,10H,9H2,1H3/q+1