N',N'-dimethyl-N-(1-nitro-10-oxidanyl-acridin-10-ium-9-yl)propane-1,3-diamine chloride hydrochloride

Systemtic Name: N',N'-dimethyl-N-(1-nitro-10-oxidanyl-acridin-10-ium-9-yl)propane-1,3-diamine chloride hydrochloride Openeye Name: N-(10-hydroxy-1-nitro-acridin-10-ium-9-yl)-N',N'-dimethyl-propane-1,3-diamine chloride hydrochloride CAS Name: N-(10-hydroxy-1-nitro-9-acridin-10-iumyl)-N',N'-dimethylpropane-1,3-diamine chloride hydrochloride IUPAC Name: N-(10-hydroxy-1-nitroacridin-10-ium-9-yl)-N',N'-dimethylpropane-1,3-diamine chloride hydrochloride Traditional Name: 3-[(10-hydroxy-1-nitro-acridin-10-ium-9-yl)amino]propyl-dimethyl-amine chloride hydrochloride Formula: C18H22Cl2N4O3 MolecularWeight: 413.29828

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=C2C(=[N+](C3=CC=CC=C31)O)C=CC=C2[N+](=O)[O-].Cl.[Cl-]

Isomeric SMILES

CN(C)CCCNC1=C2C(=[N+](C3=CC=CC=C31)O)C=CC=C2[N+](=O)[O-].Cl.[Cl-]

InChI

InChI=1S/C18H20N4O3.2ClH/c1-20(2)12-6-11-19-18-13-7-3-4-8-14(13)21(23)15-9-5-10-16(17(15)18)22(24)25;;/h3-5,7-10,23H,6,11-12H2,1-2H3;2*1H