1-(5-methyl-3-oxidanyl-3-pyridin-1-ium-3-yl-1H-pyrazol-2-yl)-3-phenyl-propan-1-one

Systemtic Name: 1-(5-methyl-3-oxidanyl-3-pyridin-1-ium-3-yl-1H-pyrazol-2-yl)-3-phenyl-propan-1-one Openeye Name: 1-(3-hydroxy-5-methyl-3-pyridin-1-ium-3-yl-1H-pyrazol-2-yl)-3-phenyl-propan-1-one CAS Name: 1-[3-hydroxy-5-methyl-3-(3-pyridin-1-iumyl)-1H-pyrazol-2-yl]-3-phenyl-1-propanone IUPAC Name: 1-(3-hydroxy-5-methyl-3-pyridin-1-ium-3-yl-1H-pyrazol-2-yl)-3-phenylpropan-1-one Traditional Name: 1-(5-hydroxy-3-methyl-5-pyridin-1-ium-3-yl-3-pyrazolin-1-yl)-3-phenyl-propan-1-one Formula: C18H20N3O2+ MolecularWeight: 310.3703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(N(N1)C(=O)CCC2=CC=CC=C2)(C3=C[NH+]=CC=C3)O

Isomeric SMILES

CC1=CC(N(N1)C(=O)CCC2=CC=CC=C2)(C3=C[NH+]=CC=C3)O

InChI

InChI=1S/C18H19N3O2/c1-14-12-18(23,16-8-5-11-19-13-16)21(20-14)17(22)10-9-15-6-3-2-4-7-15/h2-8,11-13,20,23H,9-10H2,1H3/p+1