1-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-4-ium

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-4-ium Openeye Name: 1-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-4-ium CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonylpiperazin-4-ium IUPAC Name: 1-(2-methyl-5-nitrophenyl)sulfonylpiperazin-4-ium Traditional Name: 1-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-4-ium Formula: C11H16N3O4S+ MolecularWeight: 286.32744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N3O4S/c1-9-2-3-10(14(15)16)8-11(9)19(17,18)13-6-4-12-5-7-13/h2-3,8,12H,4-7H2,1H3/p+1