4-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole

Systemtic Name: 4-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole Openeye Name: 4-[(4-tetralin-6-ylsulfonylpiperazin-1-ium-1-yl)methyl]-2-(2-thienyl)oxazole CAS Name: 4-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazin-1-iumyl]methyl]-2-thiophen-2-yloxazole IUPAC Name: 4-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole Traditional Name: 4-[(4-tetralin-6-ylsulfonylpiperazin-1-ium-1-yl)methyl]-2-(2-thienyl)oxazole Formula: C22H26N3O3S2+ MolecularWeight: 444.59014

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=COC(=N4)C5=CC=CS5

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=COC(=N4)C5=CC=CS5

InChI

InChI=1S/C22H25N3O3S2/c26-30(27,20-8-7-17-4-1-2-5-18(17)14-20)25-11-9-24(10-12-25)15-19-16-28-22(23-19)21-6-3-13-29-21/h3,6-8,13-14,16H,1-2,4-5,9-12,15H2/p+1