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

Systemtic Name: 3-[[2-methyl-3-(3-morpholin-4-ium-4-ylpropylamino)-4,6-dinitro-phenyl]amino]propan-1-ol Openeye Name: 3-[2-methyl-3-(3-morpholin-4-ium-4-ylpropylamino)-4,6-dinitro-anilino]propan-1-ol CAS Name: 3-[2-methyl-3-[3-(4-morpholin-4-iumyl)propylamino]-4,6-dinitroanilino]-1-propanol IUPAC Name: 3-[2-methyl-3-(3-morpholin-4-ium-4-ylpropylamino)-4,6-dinitroanilino]propan-1-ol Traditional Name: 3-[2-methyl-3-(3-morpholin-4-ium-4-ylpropylamino)-4,6-dinitro-anilino]propan-1-ol Formula: C17H28N5O6+ MolecularWeight: 398.43412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N5O6/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/p+1