2,6-dimethoxy-N-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylethyl]benzamide

Systemtic Name: 2,6-dimethoxy-N-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylethyl]benzamide Openeye Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)sulfonylethyl]-2,6-dimethoxy-benzamide CAS Name: 2,6-dimethoxy-N-[2-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]ethyl]benzamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)sulfonylethyl]-2,6-dimethoxybenzamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)sulfonylethyl]-2,6-dimethoxy-benzamide Formula: C22H30N3O5S+ MolecularWeight: 448.5557

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)NCCS(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)NCCS(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O5S/c1-29-19-9-6-10-20(30-2)21(19)22(26)23-11-16-31(27,28)25-14-12-24(13-15-25)17-18-7-4-3-5-8-18/h3-10H,11-17H2,1-2H3,(H,23,26)/p+1