trimethyl-(2-oxidanyl-3-oxidanylidene-6-pyren-1-yl-hexyl)azanium

Systemtic Name: trimethyl-(2-oxidanyl-3-oxidanylidene-6-pyren-1-yl-hexyl)azanium Openeye Name: (2-hydroxy-3-oxo-6-pyren-1-yl-hexyl)-trimethyl-ammonium CAS Name: [2-hydroxy-3-oxo-6-(1-pyrenyl)hexyl]-trimethylammonium IUPAC Name: (2-hydroxy-3-oxo-6-pyren-1-ylhexyl)-trimethylazanium Traditional Name: (2-hydroxy-3-keto-6-pyren-1-yl-hexyl)-trimethyl-ammonium Formula: C25H28NO2+ MolecularWeight: 374.49532

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(C(=O)CCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)O

Isomeric SMILES

C[N+](C)(C)CC(C(=O)CCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)O

InChI

InChI=1S/C25H28NO2/c1-26(2,3)16-23(28)22(27)9-5-6-17-10-11-20-13-12-18-7-4-8-19-14-15-21(17)25(20)24(18)19/h4,7-8,10-15,23,28H,5-6,9,16H2,1-3H3/q+1