2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]ethanamide

Systemtic Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]ethanamide Openeye Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide CAS Name: 2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide IUPAC Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide Traditional Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide Formula: C19H27N5O3S+2 MolecularWeight: 405.51438

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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=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=[NH+]3

InChI

InChI=1S/C19H25N5O3S/c20-28(26,27)17-6-4-16(5-7-17)8-10-22-19(25)15-23-11-13-24(14-12-23)18-3-1-2-9-21-18/h1-7,9H,8,10-15H2,(H,22,25)(H2,20,26,27)/p+2