4-(dimethylsulfamoyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-(dimethylsulfamoyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-(dimethylsulfamoyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-(dimethylsulfamoyl)-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-(dimethylsulfamoyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-(dimethylsulfamoyl)-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3

InChI

InChI=1S/C22H29N3O3S/c1-24(2)29(27,28)21-12-10-18(11-13-21)22(26)23-16-19-8-4-5-9-20(19)17-25-14-6-3-7-15-25/h4-5,8-13H,3,6-7,14-17H2,1-2H3,(H,23,26)/p+1