N-(4-methyl-3-nitro-phenyl)piperazin-4-ium-1-sulfonamide

Systemtic Name: N-(4-methyl-3-nitro-phenyl)piperazin-4-ium-1-sulfonamide Openeye Name: N-(4-methyl-3-nitro-phenyl)piperazin-4-ium-1-sulfonamide CAS Name: N-(4-methyl-3-nitrophenyl)-1-piperazin-4-iumsulfonamide IUPAC Name: N-(4-methyl-3-nitrophenyl)piperazin-4-ium-1-sulfonamide Traditional Name: N-(4-methyl-3-nitro-phenyl)piperazin-4-ium-1-sulfonamide Formula: C11H17N4O4S+ MolecularWeight: 301.34208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)N2CC[NH2+]CC2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)N2CC[NH2+]CC2)[N+](=O)[O-]

InChI

InChI=1S/C11H16N4O4S/c1-9-2-3-10(8-11(9)15(16)17)13-20(18,19)14-6-4-12-5-7-14/h2-3,8,12-13H,4-7H2,1H3/p+1