1-dodecyl-1-[(5-oxidanylidenepyrazol-3-yl)-phenyl-amino]pyrrolidin-1-ium-2,5-dione

Systemtic Name: 1-dodecyl-1-[(5-oxidanylidenepyrazol-3-yl)-phenyl-amino]pyrrolidin-1-ium-2,5-dione Openeye Name: 1-dodecyl-1-(N-(5-oxopyrazol-3-yl)anilino)pyrrolidin-1-ium-2,5-dione CAS Name: 1-dodecyl-1-(N-(5-oxo-3-pyrazolyl)anilino)pyrrolidin-1-ium-2,5-dione IUPAC Name: 1-dodecyl-1-(N-(5-oxopyrazol-3-yl)anilino)pyrrolidin-1-ium-2,5-dione Traditional Name: 1-(N-(5-ketopyrazol-3-yl)anilino)-1-lauryl-pyrrolidin-1-ium-2,5-quinone Formula: C25H35N4O3+ MolecularWeight: 439.5704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1(C(=O)CCC1=O)N(C2=CC=CC=C2)C3=CC(=O)N=N3

Isomeric SMILES

CCCCCCCCCCCC[N+]1(C(=O)CCC1=O)N(C2=CC=CC=C2)C3=CC(=O)N=N3

InChI

InChI=1S/C25H35N4O3/c1-2-3-4-5-6-7-8-9-10-14-19-29(24(31)17-18-25(29)32)28(21-15-12-11-13-16-21)22-20-23(30)27-26-22/h11-13,15-16,20H,2-10,14,17-19H2,1H3/q+1