3,4-dimethyl-5-(methylsulfamoyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 3,4-dimethyl-5-(methylsulfamoyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 3,4-dimethyl-5-(methylsulfamoyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 3,4-dimethyl-5-(methylsulfamoyl)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 3,4-dimethyl-5-(methylsulfamoyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 3,4-dimethyl-5-(methylsulfamoyl)-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3)S(=O)(=O)NC)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3)S(=O)(=O)NC)C

InChI

InChI=1S/C23H31N3O3S/c1-17-13-21(14-22(18(17)2)30(28,29)24-3)23(27)25-15-19-7-9-20(10-8-19)16-26-11-5-4-6-12-26/h7-10,13-14,24H,4-6,11-12,15-16H2,1-3H3,(H,25,27)/p+1