3-methyl-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-1,3-benzoxazol-2-one

Systemtic Name: 3-methyl-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-1,3-benzoxazol-2-one Openeye Name: 6-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-3-methyl-1,3-benzoxazol-2-one CAS Name: 3-methyl-6-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]-1,3-benzoxazol-2-one IUPAC Name: 6-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-3-methyl-1,3-benzoxazol-2-one Traditional Name: 6-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-3-methyl-1,3-benzoxazol-2-one Formula: C19H22N3O4S+ MolecularWeight: 388.46068

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)OC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)OC1=O

InChI

InChI=1S/C19H21N3O4S/c1-20-17-8-7-16(13-18(17)26-19(20)23)27(24,25)22-11-9-21(10-12-22)14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3/p+1