1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(4-methylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(4-methylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(p-tolylsulfonyl)piperazin-1-ium CAS Name: 1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-tosyl-piperazin-1-ium Formula: C17H24N5O4S+ MolecularWeight: 394.46856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C17H23N5O4S/c1-13-4-6-16(7-5-13)27(25,26)20-10-8-19(9-11-20)12-21-15(3)17(22(23)24)14(2)18-21/h4-7H,8-12H2,1-3H3/p+1