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

Systemtic Name: 1-(2-diethylaminoethylamino)-10-methyl-4-nitro-acridin-9-one; methanesulfonate; hydrate Openeye Name: 1-(2-diethylaminoethylamino)-10-methyl-4-nitro-acridin-9-one; methanesulfonate; hydrate CAS Name: 1-(2-diethylaminoethylamino)-10-methyl-4-nitro-9-acridinone; methanesulfonate; hydrate IUPAC Name: 1-(2-diethylaminoethylamino)-10-methyl-4-nitroacridin-9-one; methanesulfonate; hydrate Traditional Name: 1-(2-diethylaminoethylamino)-10-methyl-4-nitro-acridin-9-one mesylate hydrate Formula: C21H29N4O7S- MolecularWeight: 481.54256

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)[N+](=O)[O-])N(C3=CC=CC=C3C2=O)C.CS(=O)(=O)[O-].O

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)[N+](=O)[O-])N(C3=CC=CC=C3C2=O)C.CS(=O)(=O)[O-].O

InChI

InChI=1S/C20H24N4O3.CH4O3S.H2O/c1-4-23(5-2)13-12-21-15-10-11-17(24(26)27)19-18(15)20(25)14-8-6-7-9-16(14)22(19)3;1-5(2,3)4;/h6-11,21H,4-5,12-13H2,1-3H3;1H3,(H,2,3,4);1H2/p-1