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

Systemtic Name: [6-(dimethylamino)-10-(4-oxidanyl-4-oxidanylidene-butyl)-9aH-acridin-10-ium-3-ylidene]-dimethyl-azanium perchlorate Openeye Name: [6-(dimethylamino)-10-(4-hydroxy-4-oxo-butyl)-9aH-acridin-10-ium-3-ylidene]-dimethyl-ammonium perchlorate CAS Name: [6-(dimethylamino)-10-(4-hydroxy-4-oxobutyl)-9aH-acridin-10-ium-3-ylidene]-dimethylammonium perchlorate IUPAC Name: [6-(dimethylamino)-10-(4-hydroxy-4-oxobutyl)-9aH-acridin-10-ium-3-ylidene]-dimethylazanium perchlorate Traditional Name: [6-(dimethylamino)-10-(4-hydroxy-4-keto-butyl)-9aH-acridin-10-ium-3-ylidene]-dimethyl-ammonium perchlorate Formula: C21H27ClN3O6+ MolecularWeight: 452.90858

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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.[O-]Cl(=O)(=O)=O

Isomeric SMILES

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

InChI

InChI=1S/C21H26N3O2.ClHO4/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;2-1(3,4)5/h7-10,12-15H,5-6,11H2,1-4H3;(H,2,3,4,5)/q+1;