5-azanylpentan-2-yl-(6-chloranyl-2-methoxy-acridin-9-yl)-bis(2-chloroethyl)azanium dihydrochloride

Systemtic Name: 5-azanylpentan-2-yl-(6-chloranyl-2-methoxy-acridin-9-yl)-bis(2-chloroethyl)azanium dihydrochloride Openeye Name: (4-amino-1-methyl-butyl)-bis(2-chloroethyl)-(6-chloro-2-methoxy-acridin-9-yl)ammonium dihydrochloride CAS Name: 5-aminopentan-2-yl-bis(2-chloroethyl)-(6-chloro-2-methoxy-9-acridinyl)ammonium dihydrochloride IUPAC Name: 5-aminopentan-2-yl-bis(2-chloroethyl)-(6-chloro-2-methoxyacridin-9-yl)azanium dihydrochloride Traditional Name: (4-amino-1-methyl-butyl)-bis(2-chloroethyl)-(6-chloro-2-methoxy-acridin-9-yl)ammonium dihydrochloride Formula: C23H31Cl5N3O+ MolecularWeight: 542.77674

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCN)[N+](CCCl)(CCCl)C1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC.Cl.Cl

Isomeric SMILES

CC(CCCN)[N+](CCCl)(CCCl)C1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC.Cl.Cl

InChI

InChI=1S/C23H29Cl3N3O.2ClH/c1-16(4-3-11-27)29(12-9-24,13-10-25)23-19-7-5-17(26)14-22(19)28-21-8-6-18(30-2)15-20(21)23;;/h5-8,14-16H,3-4,9-13,27H2,1-2H3;2*1H/q+1;;