1-methyl-4-(3-nitro-4-piperidin-1-yl-phenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-methyl-4-(3-nitro-4-piperidin-1-yl-phenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-methyl-4-[3-nitro-4-(1-piperidyl)phenyl]sulfonyl-piperazin-1-ium CAS Name: 1-methyl-4-[3-nitro-4-(1-piperidinyl)phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-methyl-4-(3-nitro-4-piperidin-1-ylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-methyl-4-(3-nitro-4-piperidino-phenyl)sulfonyl-piperazin-1-ium Formula: C16H25N4O4S+ MolecularWeight: 369.4591

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H24N4O4S/c1-17-9-11-19(12-10-17)25(23,24)14-5-6-15(16(13-14)20(21)22)18-7-3-2-4-8-18/h5-6,13H,2-4,7-12H2,1H3/p+1