4-[(6-chloranyl-2-methoxy-acridin-9-yl)azaniumyl]butyl-diethyl-azanium dichloride

Systemtic Name: 4-[(6-chloranyl-2-methoxy-acridin-9-yl)azaniumyl]butyl-diethyl-azanium dichloride Openeye Name: 4-[(6-chloro-2-methoxy-acridin-9-yl)ammonio]butyl-diethyl-ammonium dichloride CAS Name: 4-[(6-chloro-2-methoxy-9-acridinyl)ammonio]butyl-diethylammonium dichloride IUPAC Name: 4-[(6-chloro-2-methoxyacridin-9-yl)azaniumyl]butyl-diethylazanium dichloride Traditional Name: 4-[(6-chloro-2-methoxy-acridin-9-yl)ammonio]butyl-diethyl-ammonium dichloride Formula: C22H30Cl3N3O MolecularWeight: 458.8521

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC[NH2+]C1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC.[Cl-].[Cl-]

Isomeric SMILES

CC[NH+](CC)CCCC[NH2+]C1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC.[Cl-].[Cl-]

InChI

InChI=1S/C22H28ClN3O.2ClH/c1-4-26(5-2)13-7-6-12-24-22-18-10-8-16(23)14-21(18)25-20-11-9-17(27-3)15-19(20)22;;/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,24,25);2*1H