2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]ethanamide

Systemtic Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]ethanamide Openeye Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide CAS Name: 2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide IUPAC Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide Traditional Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide Formula: C20H27N4O4S+ MolecularWeight: 419.51778

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)O

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)O

InChI

InChI=1S/C20H26N4O4S/c21-29(27,28)19-7-1-16(2-8-19)9-10-22-20(26)15-23-11-13-24(14-12-23)17-3-5-18(25)6-4-17/h1-8,25H,9-15H2,(H,22,26)(H2,21,27,28)/p+1