3,4-dimethyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzenesulfonamide

Systemtic Name: 3,4-dimethyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzenesulfonamide Openeye Name: 3,4-dimethyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzenesulfonamide CAS Name: 3,4-dimethyl-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 3,4-dimethyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzenesulfonamide Traditional Name: 3,4-dimethyl-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzenesulfonamide Formula: C20H27N2O2S+ MolecularWeight: 359.50558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2C[NH+]3CCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2C[NH+]3CCCC3)C

InChI

InChI=1S/C20H26N2O2S/c1-16-9-10-20(13-17(16)2)25(23,24)21-14-18-7-3-4-8-19(18)15-22-11-5-6-12-22/h3-4,7-10,13,21H,5-6,11-12,14-15H2,1-2H3/p+1