1-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-4-thiophen-2-ylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-4-thiophen-2-ylsulfonyl-piperazin-1-ium Openeye Name: 1-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-4-(2-thienylsulfonyl)piperazin-1-ium CAS Name: 1-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium IUPAC Name: 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium Traditional Name: 1-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-4-(2-thienylsulfonyl)piperazin-1-ium Formula: C19H22ClN4O2S2+ MolecularWeight: 437.98658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C19H21ClN4O2S2/c1-15-17(19(20)24(21-15)16-6-3-2-4-7-16)14-22-9-11-23(12-10-22)28(25,26)18-8-5-13-27-18/h2-8,13H,9-12,14H2,1H3/p+1