3-phenyl-4-pyridin-1-ium-1-yl-butan-2-one

Systemtic Name: 3-phenyl-4-pyridin-1-ium-1-yl-butan-2-one Openeye Name: 3-phenyl-4-pyridin-1-ium-1-yl-butan-2-one CAS Name: 3-phenyl-4-(1-pyridin-1-iumyl)-2-butanone IUPAC Name: 3-phenyl-4-pyridin-1-ium-1-ylbutan-2-one Traditional Name: 3-phenyl-4-pyridin-1-ium-1-yl-butan-2-one Formula: C15H16NO+ MolecularWeight: 226.29364

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C[N+]1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

CC(=O)C(C[N+]1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C15H16NO/c1-13(17)15(14-8-4-2-5-9-14)12-16-10-6-3-7-11-16/h2-11,15H,12H2,1H3/q+1