3-[[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 3-[[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 3-[[4-(1-azepanylsulfonyl)-1-piperazin-1-iumyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 3-[[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Formula: C18H27N4O4S+ MolecularWeight: 395.49638

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CC[NH+](CC2)CN3C4=CC=CC=C4OC3=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CC[NH+](CC2)CN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C18H26N4O4S/c23-18-22(16-7-3-4-8-17(16)26-18)15-19-11-13-21(14-12-19)27(24,25)20-9-5-1-2-6-10-20/h3-4,7-8H,1-2,5-6,9-15H2/p+1