1-octadecyl-1-(3-oxidanylidene-1,2-dihydroinden-2-yl)pyrrolidin-1-ium-2,5-dione

Systemtic Name: 1-octadecyl-1-(3-oxidanylidene-1,2-dihydroinden-2-yl)pyrrolidin-1-ium-2,5-dione Openeye Name: 1-octadecyl-1-(1-oxoindan-2-yl)pyrrolidin-1-ium-2,5-dione CAS Name: 1-octadecyl-1-(3-oxo-1,2-dihydroinden-2-yl)pyrrolidin-1-ium-2,5-dione IUPAC Name: 1-octadecyl-1-(3-oxo-1,2-dihydroinden-2-yl)pyrrolidin-1-ium-2,5-dione Traditional Name: 1-(1-ketoindan-2-yl)-1-stearyl-pyrrolidin-1-ium-2,5-quinone Formula: C31H48NO3+ MolecularWeight: 482.71772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1(C(=O)CCC1=O)C2CC3=CC=CC=C3C2=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1(C(=O)CCC1=O)C2CC3=CC=CC=C3C2=O

InChI

InChI=1S/C31H48NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-32(29(33)22-23-30(32)34)28-25-26-20-17-18-21-27(26)31(28)35/h17-18,20-21,28H,2-16,19,22-25H2,1H3/q+1