(2S,6S)-2,6-dimethyl-4-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]sulfonyl-morpholine

Systemtic Name: (2S,6S)-2,6-dimethyl-4-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]sulfonyl-morpholine Openeye Name: (2S,6S)-2,6-dimethyl-4-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]sulfonyl-morpholine CAS Name: (2S,6S)-2,6-dimethyl-4-[2-(4-methyl-1-piperazin-4-iumyl)-5-nitrophenyl]sulfonylmorpholine IUPAC Name: (2S,6S)-2,6-dimethyl-4-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitrophenyl]sulfonylmorpholine Traditional Name: (2S,6S)-2,6-dimethyl-4-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]sulfonyl-morpholine Formula: C17H27N4O5S+ MolecularWeight: 399.48508

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CC[NH+](CC3)C

Isomeric SMILES

C[C@H]1CN(C[C@@H](O1)C)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CC[NH+](CC3)C

InChI

InChI=1S/C17H26N4O5S/c1-13-11-20(12-14(2)26-13)27(24,25)17-10-15(21(22)23)4-5-16(17)19-8-6-18(3)7-9-19/h4-5,10,13-14H,6-9,11-12H2,1-3H3/p+1/t13-,14-/m0/s1