4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole

Systemtic Name: 4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole Openeye Name: 4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-2-(3-thienyl)thiazole CAS Name: 4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazin-1-iumyl]methyl]-2-(3-thiophenyl)thiazole IUPAC Name: 4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole Traditional Name: 4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-2-(3-thienyl)thiazole Formula: C21H24N3O4S3+ MolecularWeight: 478.62796

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CSC(=N4)C5=CSC=C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CSC(=N4)C5=CSC=C5)OC1

InChI

InChI=1S/C21H23N3O4S3/c25-31(26,18-2-3-19-20(12-18)28-10-1-9-27-19)24-7-5-23(6-8-24)13-17-15-30-21(22-17)16-4-11-29-14-16/h2-4,11-12,14-15H,1,5-10,13H2/p+1