3-(3-oxidanylidene-2-phenyl-5-propyl-1H-pyrazol-4-yl)-1-(oxolan-2-ylmethyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione

Systemtic Name: 3-(3-oxidanylidene-2-phenyl-5-propyl-1H-pyrazol-4-yl)-1-(oxolan-2-ylmethyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 3-(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)-4-pyridin-1-ium-1-yl-1-(tetrahydrofuran-2-ylmethyl)pyrrole-2,5-dione CAS Name: 1-(2-oxolanylmethyl)-3-(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 1-(oxolan-2-ylmethyl)-3-(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 3-(5-keto-1-phenyl-3-propyl-3-pyrazolin-4-yl)-4-pyridin-1-ium-1-yl-1-(tetrahydrofurfuryl)-3-pyrroline-2,5-quinone Formula: C26H27N4O4+ MolecularWeight: 459.51698

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)CC4CCCO4)[N+]5=CC=CC=C5

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)CC4CCCO4)[N+]5=CC=CC=C5

InChI

InChI=1S/C26H26N4O4/c1-2-10-20-21(25(32)30(27-20)18-11-5-3-6-12-18)22-23(28-14-7-4-8-15-28)26(33)29(24(22)31)17-19-13-9-16-34-19/h3-8,11-12,14-15,19H,2,9-10,13,16-17H2,1H3/p+1