4-[(6-chloranyl-2-methoxy-10-methyl-acridin-10-ium-9-yl)amino]pentyl-diethyl-methyl-azanium diiodide

Systemtic Name: 4-[(6-chloranyl-2-methoxy-10-methyl-acridin-10-ium-9-yl)amino]pentyl-diethyl-methyl-azanium diiodide Openeye Name: 4-[(6-chloro-2-methoxy-10-methyl-acridin-10-ium-9-yl)amino]pentyl-diethyl-methyl-ammonium diiodide CAS Name: 4-[(6-chloro-2-methoxy-10-methyl-9-acridin-10-iumyl)amino]pentyl-diethyl-methylammonium diiodide IUPAC Name: 4-[(6-chloro-2-methoxy-10-methylacridin-10-ium-9-yl)amino]pentyl-diethyl-methylazanium diiodide Traditional Name: 4-[(6-chloro-2-methoxy-10-methyl-acridin-10-ium-9-yl)amino]pentyl-diethyl-methyl-ammonium diiodide Formula: C25H36ClI2N3O MolecularWeight: 683.83478

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCCC(C)NC1=C2C=C(C=CC2=[N+](C3=C1C=CC(=C3)Cl)C)OC.[I-].[I-]

Isomeric SMILES

CC[N+](C)(CC)CCCC(C)NC1=C2C=C(C=CC2=[N+](C3=C1C=CC(=C3)Cl)C)OC.[I-].[I-]

InChI

InChI=1S/C25H35ClN3O.2HI/c1-7-29(5,8-2)15-9-10-18(3)27-25-21-13-11-19(26)16-24(21)28(4)23-14-12-20(30-6)17-22(23)25;;/h11-14,16-18H,7-10,15H2,1-6H3;2*1H/q+1;;/p-1