3-[[2-methyl-3-(3-morpholin-4-ium-4-ylpropylamino)-4,6-dinitro-phenyl]amino]propan-1-ol chloride

Systemtic Name: 3-[[2-methyl-3-(3-morpholin-4-ium-4-ylpropylamino)-4,6-dinitro-phenyl]amino]propan-1-ol chloride Openeye Name: 3-[2-methyl-3-(3-morpholin-4-ium-4-ylpropylamino)-4,6-dinitro-anilino]propan-1-ol chloride CAS Name: 3-[2-methyl-3-[3-(4-morpholin-4-iumyl)propylamino]-4,6-dinitroanilino]-1-propanol chloride IUPAC Name: 3-[2-methyl-3-(3-morpholin-4-ium-4-ylpropylamino)-4,6-dinitroanilino]propan-1-ol chloride Traditional Name: 3-[2-methyl-3-(3-morpholin-4-ium-4-ylpropylamino)-4,6-dinitro-anilino]propan-1-ol chloride Formula: C17H28ClN5O6 MolecularWeight: 433.88712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1NCCCO)[N+](=O)[O-])[N+](=O)[O-])NCCC[NH+]2CCOCC2.[Cl-]

Isomeric SMILES

CC1=C(C(=CC(=C1NCCCO)[N+](=O)[O-])[N+](=O)[O-])NCCC[NH+]2CCOCC2.[Cl-]

InChI

InChI=1S/C17H27N5O6.ClH/c1-13-16(18-4-2-6-20-7-10-28-11-8-20)14(21(24)25)12-15(22(26)27)17(13)19-5-3-9-23;/h12,18-19,23H,2-11H2,1H3;1H