1-methylsulfonyl-4-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)piperazine

Systemtic Name: 1-methylsulfonyl-4-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)piperazine Openeye Name: 1-methylsulfonyl-4-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)piperazine CAS Name: 1-methylsulfonyl-4-[2-nitro-5-(1-piperazin-4-iumyl)phenyl]piperazine IUPAC Name: 1-methylsulfonyl-4-(2-nitro-5-piperazin-4-ium-1-ylphenyl)piperazine Traditional Name: 1-mesyl-4-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)piperazine Formula: C15H24N5O4S+ MolecularWeight: 370.44716

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=C(C=CC(=C2)N3CC[NH2+]CC3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=C(C=CC(=C2)N3CC[NH2+]CC3)[N+](=O)[O-]

InChI

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