[6-(dimethylamino)-10-(4-oxidanyl-4-oxidanylidene-butyl)-9aH-acridin-10-ium-3-ylidene]-dimethyl-azanium

Systemtic Name: [6-(dimethylamino)-10-(4-oxidanyl-4-oxidanylidene-butyl)-9aH-acridin-10-ium-3-ylidene]-dimethyl-azanium Openeye Name: [6-(dimethylamino)-10-(4-hydroxy-4-oxo-butyl)-9aH-acridin-10-ium-3-ylidene]-dimethyl-ammonium CAS Name: [6-(dimethylamino)-10-(4-hydroxy-4-oxobutyl)-9aH-acridin-10-ium-3-ylidene]-dimethylammonium IUPAC Name: [6-(dimethylamino)-10-(4-hydroxy-4-oxobutyl)-9aH-acridin-10-ium-3-ylidene]-dimethylazanium Traditional Name: [6-(dimethylamino)-10-(4-hydroxy-4-keto-butyl)-9aH-acridin-10-ium-3-ylidene]-dimethyl-ammonium Formula: C21H27N3O2+2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=[N+](C3=CC(=[N+](C)C)C=CC3C=C2C=C1)CCCC(=O)O

Isomeric SMILES

CN(C)C1=CC2=[N+](C3=CC(=[N+](C)C)C=CC3C=C2C=C1)CCCC(=O)O

InChI

InChI=1S/C21H26N3O2/c1-22(2)17-9-7-15-12-16-8-10-18(23(3)4)14-20(16)24(19(15)13-17)11-5-6-21(25)26/h7-10,12-15H,5-6,11H2,1-4H3/q+1/p+1