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

Systemtic Name: 3-[2-(3-chlorophenyl)-3-oxidanylidene-5-propan-2-yl-1H-pyrazol-4-yl]-1-(2-methoxyethyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 3-[2-(3-chlorophenyl)-5-isopropyl-3-oxo-1H-pyrazol-4-yl]-1-(2-methoxyethyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione CAS Name: 3-[2-(3-chlorophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-1-(2-methoxyethyl)-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 3-[2-(3-chlorophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-1-(2-methoxyethyl)-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 3-[1-(3-chlorophenyl)-3-isopropyl-5-keto-3-pyrazolin-4-yl]-1-(2-methoxyethyl)-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C24H24ClN4O4+ MolecularWeight: 467.92476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=O)N(N1)C2=CC(=CC=C2)Cl)C3=C(C(=O)N(C3=O)CCOC)[N+]4=CC=CC=C4

Isomeric SMILES

CC(C)C1=C(C(=O)N(N1)C2=CC(=CC=C2)Cl)C3=C(C(=O)N(C3=O)CCOC)[N+]4=CC=CC=C4

InChI

InChI=1S/C24H23ClN4O4/c1-15(2)20-18(23(31)29(26-20)17-9-7-8-16(25)14-17)19-21(27-10-5-4-6-11-27)24(32)28(22(19)30)12-13-33-3/h4-11,14-15H,12-13H2,1-3H3/p+1