N-[4-[2-[5-(phenylmethyl)-3,4-dihydro-2H-pyrrol-1-ium-1-yl]ethanoyl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[2-[5-(phenylmethyl)-3,4-dihydro-2H-pyrrol-1-ium-1-yl]ethanoyl]phenyl]methanesulfonamide Openeye Name: N-[4-[2-(5-benzyl-3,4-dihydro-2H-pyrrol-1-ium-1-yl)acetyl]phenyl]methanesulfonamide CAS Name: N-[4-[1-oxo-2-[5-(phenylmethyl)-3,4-dihydro-2H-pyrrol-1-ium-1-yl]ethyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[2-(5-benzyl-3,4-dihydro-2H-pyrrol-1-ium-1-yl)acetyl]phenyl]methanesulfonamide Traditional Name: N-[4-[2-(2-benzyl-1-pyrrolin-1-ium-1-yl)acetyl]phenyl]methanesulfonamide Formula: C20H23N2O3S+ MolecularWeight: 371.47322

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)C[N+]2=C(CCC2)CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)C[N+]2=C(CCC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O3S/c1-26(24,25)21-18-11-9-17(10-12-18)20(23)15-22-13-5-8-19(22)14-16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13-15H2,1H3/p+1