4-[4-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-nitro-phenyl]sulfonylmorpholine

Systemtic Name: 4-[4-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-nitro-phenyl]sulfonylmorpholine Openeye Name: 4-[4-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-nitro-phenyl]sulfonylmorpholine CAS Name: 4-[4-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-nitrophenyl]sulfonylmorpholine IUPAC Name: 4-[4-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-nitrophenyl]sulfonylmorpholine Traditional Name: 4-[4-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-nitro-phenyl]sulfonylmorpholine Formula: C16H25N4O5S+ MolecularWeight: 385.4585

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H24N4O5S/c1-17-5-2-6-18(8-7-17)15-4-3-14(13-16(15)20(21)22)26(23,24)19-9-11-25-12-10-19/h3-4,13H,2,5-12H2,1H3/p+1