1-(2-diethylaminoethylamino)-4-nitro-7-oxidanyl-10H-acridin-9-one; methanesulfonate; hydrate

Systemtic Name: 1-(2-diethylaminoethylamino)-4-nitro-7-oxidanyl-10H-acridin-9-one; methanesulfonate; hydrate Openeye Name: 1-(2-diethylaminoethylamino)-7-hydroxy-4-nitro-10H-acridin-9-one; methanesulfonate; hydrate CAS Name: 1-(2-diethylaminoethylamino)-7-hydroxy-4-nitro-10H-acridin-9-one; methanesulfonate; hydrate IUPAC Name: 1-(2-diethylaminoethylamino)-7-hydroxy-4-nitro-10H-acridin-9-one; methanesulfonate; hydrate Traditional Name: 1-(2-diethylaminoethylamino)-7-hydroxy-4-nitro-10H-acridin-9-one mesylate hydrate Formula: C20H27N4O8S- MolecularWeight: 483.51538

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)[N+](=O)[O-])NC3=C(C2=O)C=C(C=C3)O.CS(=O)(=O)[O-].O

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)[N+](=O)[O-])NC3=C(C2=O)C=C(C=C3)O.CS(=O)(=O)[O-].O

InChI

InChI=1S/C19H22N4O4.CH4O3S.H2O/c1-3-22(4-2)10-9-20-15-7-8-16(23(26)27)18-17(15)19(25)13-11-12(24)5-6-14(13)21-18;1-5(2,3)4;/h5-8,11,20,24H,3-4,9-10H2,1-2H3,(H,21,25);1H3,(H,2,3,4);1H2/p-1