5-phenyl-2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-oxazole

Systemtic Name: 5-phenyl-2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-oxazole Openeye Name: 5-phenyl-2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]oxazole CAS Name: 5-phenyl-2-[[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]oxazole IUPAC Name: 5-phenyl-2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-oxazole Traditional Name: 2-[(4-mesitylsulfonylpiperazin-1-ium-1-yl)methyl]-5-phenyl-oxazole Formula: C23H28N3O3S+ MolecularWeight: 426.55172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=NC=C(O3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=NC=C(O3)C4=CC=CC=C4)C

InChI

InChI=1S/C23H27N3O3S/c1-17-13-18(2)23(19(3)14-17)30(27,28)26-11-9-25(10-12-26)16-22-24-15-21(29-22)20-7-5-4-6-8-20/h4-8,13-15H,9-12,16H2,1-3H3/p+1