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

Systemtic Name: 2-thiophen-2-yl-4-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-oxazole Openeye Name: 2-(2-thienyl)-4-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]oxazole CAS Name: 2-thiophen-2-yl-4-[[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]oxazole IUPAC Name: 2-thiophen-2-yl-4-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-oxazole Traditional Name: 4-[(4-mesitylsulfonylpiperazin-1-ium-1-yl)methyl]-2-(2-thienyl)oxazole Formula: C21H26N3O3S2+ MolecularWeight: 432.57944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=COC(=N3)C4=CC=CS4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=COC(=N3)C4=CC=CS4)C

InChI

InChI=1S/C21H25N3O3S2/c1-15-11-16(2)20(17(3)12-15)29(25,26)24-8-6-23(7-9-24)13-18-14-27-21(22-18)19-5-4-10-28-19/h4-5,10-12,14H,6-9,13H2,1-3H3/p+1