1-[(1-phenylpyrazol-4-yl)methyl]-4-(2,4,6-trimethylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(1-phenylpyrazol-4-yl)methyl]-4-(2,4,6-trimethylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(1-phenylpyrazol-4-yl)methyl]-4-(2,4,6-trimethylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(1-phenyl-4-pyrazolyl)methyl]-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(1-phenylpyrazol-4-yl)methyl]-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-mesitylsulfonyl-4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium Formula: C23H29N4O2S+ MolecularWeight: 425.56696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CN(N=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CN(N=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C23H28N4O2S/c1-18-13-19(2)23(20(3)14-18)30(28,29)26-11-9-25(10-12-26)16-21-15-24-27(17-21)22-7-5-4-6-8-22/h4-8,13-15,17H,9-12,16H2,1-3H3/p+1