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

Systemtic Name: 1-(4-imidazol-1-yl-3-nitro-phenyl)sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-(4-imidazol-1-yl-3-nitro-phenyl)sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-[4-(1-imidazolyl)-3-nitrophenyl]sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-(4-imidazol-1-yl-3-nitrophenyl)sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-(4-imidazol-1-yl-3-nitro-phenyl)sulfonyl-4-methyl-piperazin-4-ium Formula: C14H18N5O4S+ MolecularWeight: 352.38882

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H17N5O4S/c1-16-6-8-18(9-7-16)24(22,23)12-2-3-13(14(10-12)19(20)21)17-5-4-15-11-17/h2-5,10-11H,6-9H2,1H3/p+1