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

Systemtic Name: 3,4-dimethyl-5-(methylsulfamoyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 3,4-dimethyl-5-(methylsulfamoyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 3,4-dimethyl-5-(methylsulfamoyl)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 3,4-dimethyl-5-(methylsulfamoyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 3,4-dimethyl-5-(methylsulfamoyl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3)S(=O)(=O)NC)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3)S(=O)(=O)NC)C

InChI

InChI=1S/C22H29N3O3S/c1-16-12-20(13-21(17(16)2)29(27,28)23-3)22(26)24-14-18-6-8-19(9-7-18)15-25-10-4-5-11-25/h6-9,12-13,23H,4-5,10-11,14-15H2,1-3H3,(H,24,26)/p+1