dimethyl-[3-[(1-nitro-10-oxidanidyl-acridin-10-ium-9-yl)azaniumyl]propyl]azanium dichloride

Systemtic Name: dimethyl-[3-[(1-nitro-10-oxidanidyl-acridin-10-ium-9-yl)azaniumyl]propyl]azanium dichloride Openeye Name: dimethyl-[3-[(1-nitro-10-oxido-acridin-10-ium-9-yl)ammonio]propyl]ammonium dichloride CAS Name: dimethyl-[3-[(1-nitro-10-oxido-9-acridin-10-iumyl)ammonio]propyl]ammonium dichloride IUPAC Name: dimethyl-[3-[(1-nitro-10-oxidoacridin-10-ium-9-yl)azaniumyl]propyl]azanium dichloride Traditional Name: dimethyl-[3-[(1-nitro-10-oxido-acridin-10-ium-9-yl)ammonio]propyl]ammonium dichloride Formula: C18H22Cl2N4O3 MolecularWeight: 413.29828

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC[NH2+]C1=C2C(=[N+](C3=CC=CC=C31)[O-])C=CC=C2[N+](=O)[O-].[Cl-].[Cl-]

Isomeric SMILES

C[NH+](C)CCC[NH2+]C1=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;;/h3-5,7-10,19H,6,11-12H2,1-2H3;2*1H