4-(3,5-dinitrophenyl)sulfonyl-N-methyl-N-pentyl-morpholin-4-ium-4-amine

Systemtic Name: 4-(3,5-dinitrophenyl)sulfonyl-N-methyl-N-pentyl-morpholin-4-ium-4-amine Openeye Name: 4-(3,5-dinitrophenyl)sulfonyl-N-methyl-N-pentyl-morpholin-4-ium-4-amine CAS Name: 4-(3,5-dinitrophenyl)sulfonyl-N-methyl-N-pentyl-4-morpholin-4-iumamine IUPAC Name: 4-(3,5-dinitrophenyl)sulfonyl-N-methyl-N-pentylmorpholin-4-ium-4-amine Traditional Name: amyl-[4-(3,5-dinitrophenyl)sulfonylmorpholin-4-ium-4-yl]-methyl-amine Formula: C16H25N4O7S+ MolecularWeight: 417.4573

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C)[N+]1(CCOCC1)S(=O)(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCN(C)[N+]1(CCOCC1)S(=O)(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H25N4O7S/c1-3-4-5-6-17(2)20(7-9-27-10-8-20)28(25,26)16-12-14(18(21)22)11-15(13-16)19(23)24/h11-13H,3-10H2,1-2H3/q+1