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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O5S/c1-13-11-19(12-14(2)26-13)16-5-4-15(10-17(16)21(22)23)27(24,25)20-8-6-18(3)7-9-20/h4-5,10,13-14H,6-9,11-12H2,1-3H3/p+1/t13-,14-/m1/s1