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

Systemtic Name: 3-methyl-6-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-1,3-benzoxazol-2-one Openeye Name: 3-methyl-6-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-1,3-benzoxazol-2-one CAS Name: 3-methyl-6-[[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]-1,3-benzoxazol-2-one IUPAC Name: 3-methyl-6-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-1,3-benzoxazol-2-one Traditional Name: 3-methyl-6-[4-(2,3,4-trimethoxybenzyl)piperazin-4-ium-1-yl]sulfonyl-1,3-benzoxazol-2-one Formula: C22H28N3O7S+ MolecularWeight: 478.53862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O7S/c1-23-17-7-6-16(13-19(17)32-22(23)26)33(27,28)25-11-9-24(10-12-25)14-15-5-8-18(29-2)21(31-4)20(15)30-3/h5-8,13H,9-12,14H2,1-4H3/p+1