(4S)-5-methyl-2-phenyl-4-pyridin-1-ium-1-yl-4H-pyrazol-3-one

Systemtic Name: (4S)-5-methyl-2-phenyl-4-pyridin-1-ium-1-yl-4H-pyrazol-3-one Openeye Name: (4S)-5-methyl-2-phenyl-4-pyridin-1-ium-1-yl-4H-pyrazol-3-one CAS Name: (4S)-5-methyl-2-phenyl-4-(1-pyridin-1-iumyl)-4H-pyrazol-3-one IUPAC Name: (4S)-5-methyl-2-phenyl-4-pyridin-1-ium-1-yl-4H-pyrazol-3-one Traditional Name: (4S)-5-methyl-2-phenyl-4-pyridin-1-ium-1-yl-2-pyrazolin-3-one Formula: C15H14N3O+ MolecularWeight: 252.29116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1[N+]2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=O)[C@H]1[N+]2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C15H14N3O/c1-12-14(17-10-6-3-7-11-17)15(19)18(16-12)13-8-4-2-5-9-13/h2-11,14H,1H3/q+1/t14-/m0/s1