3-[[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-6-chloranyl-1,3-benzoxazol-2-one

Systemtic Name: 3-[[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-6-chloranyl-1,3-benzoxazol-2-one Openeye Name: 3-[[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-6-chloro-1,3-benzoxazol-2-one CAS Name: 3-[[4-(1-azepanylsulfonyl)-1-piperazin-1-iumyl]methyl]-6-chloro-1,3-benzoxazol-2-one IUPAC Name: 3-[[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-6-chloro-1,3-benzoxazol-2-one Traditional Name: 3-[[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-6-chloro-1,3-benzoxazol-2-one Formula: C18H26ClN4O4S+ MolecularWeight: 429.94144

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CC[NH+](CC2)CN3C4=C(C=C(C=C4)Cl)OC3=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CC[NH+](CC2)CN3C4=C(C=C(C=C4)Cl)OC3=O

InChI

InChI=1S/C18H25ClN4O4S/c19-15-5-6-16-17(13-15)27-18(24)23(16)14-20-9-11-22(12-10-20)28(25,26)21-7-3-1-2-4-8-21/h5-6,13H,1-4,7-12,14H2/p+1