1-[1-(diethylamino)propan-2-ylamino]-4-nitro-thioxanthen-9-one chloride

Systemtic Name: 1-[1-(diethylamino)propan-2-ylamino]-4-nitro-thioxanthen-9-one chloride Openeye Name: 1-[[2-(diethylamino)-1-methyl-ethyl]amino]-4-nitro-thioxanthen-9-one chloride CAS Name: 1-[1-(diethylamino)propan-2-ylamino]-4-nitro-9-thioxanthenone chloride IUPAC Name: 1-[1-(diethylamino)propan-2-ylamino]-4-nitrothioxanthen-9-one chloride Traditional Name: 1-[[2-(diethylamino)-1-methyl-ethyl]amino]-4-nitro-thioxanthen-9-one chloride Formula: C20H23ClN3O3S- MolecularWeight: 420.93292

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(C)NC1=C2C(=C(C=C1)[N+](=O)[O-])SC3=CC=CC=C3C2=O.[Cl-]

Isomeric SMILES

CCN(CC)CC(C)NC1=C2C(=C(C=C1)[N+](=O)[O-])SC3=CC=CC=C3C2=O.[Cl-]

InChI

InChI=1S/C20H23N3O3S.ClH/c1-4-22(5-2)12-13(3)21-15-10-11-16(23(25)26)20-18(15)19(24)14-8-6-7-9-17(14)27-20;/h6-11,13,21H,4-5,12H2,1-3H3;1H/p-1