N-(2,6-dimethylphenyl)-2-[4-(5-sulfamoylpyridin-1-ium-2-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(5-sulfamoylpyridin-1-ium-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(5-sulfamoylpyridin-1-ium-2-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-(5-sulfamoyl-2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(5-sulfamoylpyridin-1-ium-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-(5-sulfamoylpyridin-1-ium-2-yl)piperazin-1-ium-1-yl]acetamide Formula: C19H27N5O3S+2 MolecularWeight: 405.51438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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