N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C19H27N5O3S+2 MolecularWeight: 405.51438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)S(=O)(=O)NC

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)S(=O)(=O)NC

InChI

InChI=1S/C19H25N5O3S/c1-15-6-7-16(13-17(15)28(26,27)20-2)22-19(25)14-23-9-11-24(12-10-23)18-5-3-4-8-21-18/h3-8,13,20H,9-12,14H2,1-2H3,(H,22,25)/p+2