2,4,6-trimethyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzenesulfonamide

Systemtic Name: 2,4,6-trimethyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzenesulfonamide Openeye Name: 2,4,6-trimethyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzenesulfonamide CAS Name: 2,4,6-trimethyl-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 2,4,6-trimethyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzenesulfonamide Traditional Name: 2,4,6-trimethyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzenesulfonamide Formula: C21H29N2O2S+ MolecularWeight: 373.53216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O2S/c1-16-12-17(2)21(18(3)13-16)26(24,25)22-14-19-6-8-20(9-7-19)15-23-10-4-5-11-23/h6-9,12-13,22H,4-5,10-11,14-15H2,1-3H3/p+1