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

Systemtic Name: 1-decyl-1-[(5-oxidanylidenepyrazol-3-yl)-phenyl-amino]pyrrolidin-1-ium-2,5-dione Openeye Name: 1-decyl-1-(N-(5-oxopyrazol-3-yl)anilino)pyrrolidin-1-ium-2,5-dione CAS Name: 1-decyl-1-(N-(5-oxo-3-pyrazolyl)anilino)pyrrolidin-1-ium-2,5-dione IUPAC Name: 1-decyl-1-(N-(5-oxopyrazol-3-yl)anilino)pyrrolidin-1-ium-2,5-dione Traditional Name: 1-decyl-1-(N-(5-ketopyrazol-3-yl)anilino)pyrrolidin-1-ium-2,5-quinone Formula: C23H31N4O3+ MolecularWeight: 411.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N4O3/c1-2-3-4-5-6-7-8-12-17-27(22(29)15-16-23(27)30)26(19-13-10-9-11-14-19)20-18-21(28)25-24-20/h9-11,13-14,18H,2-8,12,15-17H2,1H3/q+1