1-methyl-4-(5-nitro-2-piperazin-4-ium-1-yl-phenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-methyl-4-(5-nitro-2-piperazin-4-ium-1-yl-phenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-methyl-4-(5-nitro-2-piperazin-4-ium-1-yl-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-methyl-4-[5-nitro-2-(1-piperazin-4-iumyl)phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-methyl-4-(5-nitro-2-piperazin-4-ium-1-ylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-methyl-4-(5-nitro-2-piperazin-4-ium-1-yl-phenyl)sulfonyl-piperazin-1-ium Formula: C15H25N5O4S+2 MolecularWeight: 371.4551

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CC[NH2+]CC3

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CC[NH2+]CC3

InChI

InChI=1S/C15H23N5O4S/c1-17-8-10-19(11-9-17)25(23,24)15-12-13(20(21)22)2-3-14(15)18-6-4-16-5-7-18/h2-3,12,16H,4-11H2,1H3/p+2