4-[4-(3-methyl-1,2-oxazol-5-yl)pyridin-1-ium-1-yl]-1-phenyl-butan-1-one

Systemtic Name: 4-[4-(3-methyl-1,2-oxazol-5-yl)pyridin-1-ium-1-yl]-1-phenyl-butan-1-one Openeye Name: 4-[4-(3-methylisoxazol-5-yl)pyridin-1-ium-1-yl]-1-phenyl-butan-1-one CAS Name: 4-[4-(3-methyl-5-isoxazolyl)-1-pyridin-1-iumyl]-1-phenyl-1-butanone IUPAC Name: 4-[4-(3-methyl-1,2-oxazol-5-yl)pyridin-1-ium-1-yl]-1-phenylbutan-1-one Traditional Name: 4-[4-(3-methylisoxazol-5-yl)pyridin-1-ium-1-yl]-1-phenyl-butan-1-one Formula: C19H19N2O2+ MolecularWeight: 307.36636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C2=CC=[N+](C=C2)CCCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=NOC(=C1)C2=CC=[N+](C=C2)CCCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H19N2O2/c1-15-14-19(23-20-15)17-9-12-21(13-10-17)11-5-8-18(22)16-6-3-2-4-7-16/h2-4,6-7,9-10,12-14H,5,8,11H2,1H3/q+1