2-methoxy-N-methyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzamide

Systemtic Name: 2-methoxy-N-methyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzamide Openeye Name: 5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2-methoxy-N-methyl-benzamide CAS Name: 2-methoxy-N-methyl-5-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]benzamide IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2-methoxy-N-methylbenzamide Traditional Name: 5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2-methoxy-N-methyl-benzamide Formula: C20H26N3O4S+ MolecularWeight: 404.50314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4S/c1-21-20(24)18-14-17(8-9-19(18)27-2)28(25,26)23-12-10-22(11-13-23)15-16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)/p+1