3-[2-(3-chlorophenyl)-5-ethyl-3-oxidanylidene-1H-pyrazol-4-yl]-1-propan-2-yl-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-propan-2-yl-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 3-[2-(3-chlorophenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-1-isopropyl-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione CAS Name: 3-[2-(3-chlorophenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-1-propan-2-yl-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 3-[2-(3-chlorophenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-1-propan-2-yl-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 3-[1-(3-chlorophenyl)-3-ethyl-5-keto-3-pyrazolin-4-yl]-1-isopropyl-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C23H22ClN4O3+ MolecularWeight: 437.89878

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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)C(C)C)[N+]4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=O)N(N1)C2=CC(=CC=C2)Cl)C3=C(C(=O)N(C3=O)C(C)C)[N+]4=CC=CC=C4

InChI

InChI=1S/C23H21ClN4O3/c1-4-17-18(22(30)28(25-17)16-10-8-9-15(24)13-16)19-20(26-11-6-5-7-12-26)23(31)27(14(2)3)21(19)29/h5-14H,4H2,1-3H3/p+1