1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(2,5-dimethylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(2,5-dimethylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(2,5-dimethylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(2,5-dimethylphenyl)sulfonyl-piperazin-1-ium Formula: C18H26N5O4S+ MolecularWeight: 408.49514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O4S/c1-13-5-6-14(2)17(11-13)28(26,27)21-9-7-20(8-10-21)12-22-16(4)18(23(24)25)15(3)19-22/h5-6,11H,7-10,12H2,1-4H3/p+1