1-[(1-phenylpyrazol-4-yl)methyl]-4-(4-propan-2-ylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(1-phenylpyrazol-4-yl)methyl]-4-(4-propan-2-ylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(4-isopropylphenyl)sulfonyl-4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium CAS Name: 1-[(1-phenyl-4-pyrazolyl)methyl]-4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(1-phenylpyrazol-4-yl)methyl]-4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-p-cumenylsulfonyl-4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H28N4O2S/c1-19(2)21-8-10-23(11-9-21)30(28,29)26-14-12-25(13-15-26)17-20-16-24-27(18-20)22-6-4-3-5-7-22/h3-11,16,18-19H,12-15,17H2,1-2H3/p+1