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

Systemtic Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-[(E)-2-phenylethenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-[(E)-styryl]sulfonyl-piperazin-1-ium CAS Name: 1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium Traditional Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-[(E)-styryl]sulfonyl-piperazin-1-ium Formula: C18H24N5O4S+ MolecularWeight: 406.47926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C[NH+]2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C[NH+]2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O4S/c1-15-18(23(24)25)16(2)22(19-15)14-20-9-11-21(12-10-20)28(26,27)13-8-17-6-4-3-5-7-17/h3-8,13H,9-12,14H2,1-2H3/p+1/b13-8+