(2R)-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-dimethyl-propanamide

Systemtic Name: (2R)-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-dimethyl-propanamide Openeye Name: (2R)-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-dimethyl-propanamide CAS Name: (2R)-2-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]-N,N-dimethylpropanamide IUPAC Name: (2R)-2-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-dimethylpropanamide Traditional Name: (2R)-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-dimethyl-propionamide Formula: C16H25N4O6S+ MolecularWeight: 401.4579

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C)[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N(C)C)[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H24N4O6S/c1-12(16(21)17(2)3)18-7-9-19(10-8-18)27(24,25)13-5-6-15(26-4)14(11-13)20(22)23/h5-6,11-12H,7-10H2,1-4H3/p+1/t12-/m1/s1