4-(2,6-dimethyl-4-thiophen-2-yl-pyridin-1-ium-1-yl)-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-(2,6-dimethyl-4-thiophen-2-yl-pyridin-1-ium-1-yl)-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[2,6-dimethyl-4-(2-thienyl)pyridin-1-ium-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-(2,6-dimethyl-4-thiophen-2-yl-1-pyridin-1-iumyl)-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-(2,6-dimethyl-4-thiophen-2-ylpyridin-1-ium-1-yl)-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[2,6-dimethyl-4-(2-thienyl)pyridin-1-ium-1-yl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C22H22N3OS+ MolecularWeight: 376.49458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C4=CC=CS4

Isomeric SMILES

CC1=CC(=CC(=[N+]1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C4=CC=CS4

InChI

InChI=1S/C22H22N3OS/c1-15-13-18(20-11-8-12-27-20)14-16(2)24(15)21-17(3)23(4)25(22(21)26)19-9-6-5-7-10-19/h5-14H,1-4H3/q+1