4-methyl-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-1,4-benzoxazin-3-one

Systemtic Name: 4-methyl-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-1,4-benzoxazin-3-one Openeye Name: 6-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-4-methyl-1,4-benzoxazin-3-one CAS Name: 4-methyl-6-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]-1,4-benzoxazin-3-one IUPAC Name: 6-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-4-methyl-1,4-benzoxazin-3-one Traditional Name: 6-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-4-methyl-1,4-benzoxazin-3-one Formula: C20H24N3O4S+ MolecularWeight: 402.48726

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)COC2=C1C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=O)COC2=C1C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C20H23N3O4S/c1-21-18-13-17(7-8-19(18)27-15-20(21)24)28(25,26)23-11-9-22(10-12-23)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14-15H2,1H3/p+1