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

Systemtic Name: 1-(2-dimethylaminoethylamino)-4-nitro-10H-acridin-9-one; methanesulfonate Openeye Name: 1-(2-dimethylaminoethylamino)-4-nitro-10H-acridin-9-one; methanesulfonate CAS Name: 1-(2-dimethylaminoethylamino)-4-nitro-10H-acridin-9-one; methanesulfonate IUPAC Name: 1-(2-dimethylaminoethylamino)-4-nitro-10H-acridin-9-one; methanesulfonate Traditional Name: 1-(2-dimethylaminoethylamino)-4-nitro-10H-acridin-9-one mesylate Formula: C18H21N4O6S- MolecularWeight: 421.44754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O3.CH4O3S/c1-20(2)10-9-18-13-7-8-14(21(23)24)16-15(13)17(22)11-5-3-4-6-12(11)19-16;1-5(2,3)4/h3-8,18H,9-10H2,1-2H3,(H,19,22);1H3,(H,2,3,4)/p-1