4-ethanoyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzenesulfonamide

Systemtic Name: 4-ethanoyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzenesulfonamide Openeye Name: 4-acetyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzenesulfonamide CAS Name: 4-acetyl-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 4-acetyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzenesulfonamide Traditional Name: 4-acetyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzenesulfonamide Formula: C20H25N2O3S+ MolecularWeight: 373.4891

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O3S/c1-16(23)19-8-10-20(11-9-19)26(24,25)21-14-17-4-6-18(7-5-17)15-22-12-2-3-13-22/h4-11,21H,2-3,12-15H2,1H3/p+1