2-thiophen-2-yl-4-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole

Systemtic Name: 2-thiophen-2-yl-4-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole Openeye Name: 2-(2-thienyl)-4-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]oxazole CAS Name: 2-thiophen-2-yl-4-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]oxazole IUPAC Name: 2-thiophen-2-yl-4-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole Traditional Name: 2-(2-thienyl)-4-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]oxazole Formula: C16H18N3O3S3+ MolecularWeight: 396.52742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=COC(=N2)C3=CC=CS3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=COC(=N2)C3=CC=CS3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C16H17N3O3S3/c20-25(21,15-4-2-10-24-15)19-7-5-18(6-8-19)11-13-12-22-16(17-13)14-3-1-9-23-14/h1-4,9-10,12H,5-8,11H2/p+1