1-(2-diethylaminoethylamino)-4-nitro-10H-acridin-9-one; methanesulfonate

Systemtic Name: 1-(2-diethylaminoethylamino)-4-nitro-10H-acridin-9-one; methanesulfonate Openeye Name: 1-(2-diethylaminoethylamino)-4-nitro-10H-acridin-9-one; methanesulfonate CAS Name: 1-(2-diethylaminoethylamino)-4-nitro-10H-acridin-9-one; methanesulfonate IUPAC Name: 1-(2-diethylaminoethylamino)-4-nitro-10H-acridin-9-one; methanesulfonate Traditional Name: 1-(2-diethylaminoethylamino)-4-nitro-10H-acridin-9-one mesylate Formula: C20H25N4O6S- MolecularWeight: 449.5007

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)[N+](=O)[O-])NC3=CC=CC=C3C2=O.CS(=O)(=O)[O-]

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)[N+](=O)[O-])NC3=CC=CC=C3C2=O.CS(=O)(=O)[O-]

InChI

InChI=1S/C19H22N4O3.CH4O3S/c1-3-22(4-2)12-11-20-15-9-10-16(23(25)26)18-17(15)19(24)13-7-5-6-8-14(13)21-18;1-5(2,3)4/h5-10,20H,3-4,11-12H2,1-2H3,(H,21,24);1H3,(H,2,3,4)/p-1