1-[2-(2-hydroxyethylamino)ethylamino]-4-nitro-10H-acridin-9-one; methanesulfonate; hydrate

Systemtic Name: 1-[2-(2-hydroxyethylamino)ethylamino]-4-nitro-10H-acridin-9-one; methanesulfonate; hydrate Openeye Name: 1-[2-(2-hydroxyethylamino)ethylamino]-4-nitro-10H-acridin-9-one; methanesulfonate; hydrate CAS Name: 1-[2-(2-hydroxyethylamino)ethylamino]-4-nitro-10H-acridin-9-one; methanesulfonate; hydrate IUPAC Name: 1-[2-(2-hydroxyethylamino)ethylamino]-4-nitro-10H-acridin-9-one; methanesulfonate; hydrate Traditional Name: 1-[2-(2-hydroxyethylamino)ethylamino]-4-nitro-10H-acridin-9-one mesylate hydrate Formula: C18H23N4O8S- MolecularWeight: 455.46222

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3N2)[N+](=O)[O-])NCCNCCO.O

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3N2)[N+](=O)[O-])NCCNCCO.O

InChI

InChI=1S/C17H18N4O4.CH4O3S.H2O/c22-10-9-18-7-8-19-13-5-6-14(21(24)25)16-15(13)17(23)11-3-1-2-4-12(11)20-16;1-5(2,3)4;/h1-6,18-19,22H,7-10H2,(H,20,23);1H3,(H,2,3,4);1H2/p-1