3-[2-(3-chlorophenyl)-5-ethyl-3-oxidanylidene-1H-pyrazol-4-yl]-1-(oxolan-2-ylmethyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione

Systemtic Name: 3-[2-(3-chlorophenyl)-5-ethyl-3-oxidanylidene-1H-pyrazol-4-yl]-1-(oxolan-2-ylmethyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 3-[2-(3-chlorophenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-4-pyridin-1-ium-1-yl-1-(tetrahydrofuran-2-ylmethyl)pyrrole-2,5-dione CAS Name: 3-[2-(3-chlorophenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-1-(2-oxolanylmethyl)-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 3-[2-(3-chlorophenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-1-(oxolan-2-ylmethyl)-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 3-[1-(3-chlorophenyl)-3-ethyl-5-keto-3-pyrazolin-4-yl]-4-pyridin-1-ium-1-yl-1-(tetrahydrofurfuryl)-3-pyrroline-2,5-quinone Formula: C25H24ClN4O4+ MolecularWeight: 479.93546

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N(N1)C2=CC(=CC=C2)Cl)C3=C(C(=O)N(C3=O)CC4CCCO4)[N+]5=CC=CC=C5

Isomeric SMILES

CCC1=C(C(=O)N(N1)C2=CC(=CC=C2)Cl)C3=C(C(=O)N(C3=O)CC4CCCO4)[N+]5=CC=CC=C5

InChI

InChI=1S/C25H23ClN4O4/c1-2-19-20(24(32)30(27-19)17-9-6-8-16(26)14-17)21-22(28-11-4-3-5-12-28)25(33)29(23(21)31)15-18-10-7-13-34-18/h3-6,8-9,11-12,14,18H,2,7,10,13,15H2,1H3/p+1