1,5-dimethyl-2-phenyl-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]pyrazol-3-one

Systemtic Name: 1,5-dimethyl-2-phenyl-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]pyrazol-3-one Openeye Name: 1,5-dimethyl-2-phenyl-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]pyrazol-3-one CAS Name: 1,5-dimethyl-2-phenyl-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-3-pyrazolone IUPAC Name: 1,5-dimethyl-2-phenyl-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]pyrazol-3-one Traditional Name: 1,5-dimethyl-2-phenyl-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-3-pyrazolin-3-one Formula: C23H26N3O+ MolecularWeight: 360.47204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C[NH+]3CCC(=CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C[NH+]3CCC(=CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O/c1-18-22(23(27)26(24(18)2)21-11-7-4-8-12-21)17-25-15-13-20(14-16-25)19-9-5-3-6-10-19/h3-13H,14-17H2,1-2H3/p+1