1-[4-(2-oxidanyl-3-pyridin-1-ium-1-yl-propoxy)phenyl]ethanone

Systemtic Name: 1-[4-(2-oxidanyl-3-pyridin-1-ium-1-yl-propoxy)phenyl]ethanone Openeye Name: 1-[4-(2-hydroxy-3-pyridin-1-ium-1-yl-propoxy)phenyl]ethanone CAS Name: 1-[4-[2-hydroxy-3-(1-pyridin-1-iumyl)propoxy]phenyl]ethanone IUPAC Name: 1-[4-(2-hydroxy-3-pyridin-1-ium-1-ylpropoxy)phenyl]ethanone Traditional Name: 1-[4-(2-hydroxy-3-pyridin-1-ium-1-yl-propoxy)phenyl]ethanone Formula: C16H18NO3+ MolecularWeight: 272.31902

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC(C[N+]2=CC=CC=C2)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCC(C[N+]2=CC=CC=C2)O

InChI

InChI=1S/C16H18NO3/c1-13(18)14-5-7-16(8-6-14)20-12-15(19)11-17-9-3-2-4-10-17/h2-10,15,19H,11-12H2,1H3/q+1