5-methyl-2-phenyl-1-[(pyridin-1-ium-2-ylamino)methyl]pyrazol-3-one

Systemtic Name: 5-methyl-2-phenyl-1-[(pyridin-1-ium-2-ylamino)methyl]pyrazol-3-one Openeye Name: 5-methyl-2-phenyl-1-[(pyridin-1-ium-2-ylamino)methyl]pyrazol-3-one CAS Name: 5-methyl-2-phenyl-1-[(2-pyridin-1-iumylamino)methyl]-3-pyrazolone IUPAC Name: 5-methyl-2-phenyl-1-[(pyridin-1-ium-2-ylamino)methyl]pyrazol-3-one Traditional Name: 5-methyl-2-phenyl-1-[(pyridin-1-ium-2-ylamino)methyl]-3-pyrazolin-3-one Formula: C16H17N4O+ MolecularWeight: 281.33238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1CNC2=CC=CC=[NH+]2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)N(N1CNC2=CC=CC=[NH+]2)C3=CC=CC=C3

InChI

InChI=1S/C16H16N4O/c1-13-11-16(21)20(14-7-3-2-4-8-14)19(13)12-18-15-9-5-6-10-17-15/h2-11H,12H2,1H3,(H,17,18)/p+1