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

Systemtic Name: 1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-4-(3,4-dichlorophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-4-(3,4-dichlorophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-4-(3,4-dichlorophenyl)sulfonyl-piperazin-1-ium Formula: C16H20Cl3N4O2S+ MolecularWeight: 438.7796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)Cl)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)Cl)Cl)C

InChI

InChI=1S/C16H19Cl3N4O2S/c1-11-13(16(19)21(2)20-11)10-22-5-7-23(8-6-22)26(24,25)12-3-4-14(17)15(18)9-12/h3-4,9H,5-8,10H2,1-2H3/p+1