3-[[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole-2-thione

Systemtic Name: 3-[[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole-2-thione Openeye Name: 3-[[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole-2-thione CAS Name: 3-[[4-(1-azepanylsulfonyl)-1-piperazin-1-iumyl]methyl]-5-phenyl-1,3,4-oxadiazole-2-thione IUPAC Name: 3-[[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole-2-thione Traditional Name: 3-[[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole-2-thione Formula: C19H28N5O3S2+ MolecularWeight: 438.58732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=S)OC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=S)OC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C19H27N5O3S2/c25-29(26,22-10-6-1-2-7-11-22)23-14-12-21(13-15-23)16-24-19(28)27-18(20-24)17-8-4-3-5-9-17/h3-5,8-9H,1-2,6-7,10-16H2/p+1