N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2,4,6-trimethyl-benzenesulfonamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2,4,6-trimethyl-benzenesulfonamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2,4,6-trimethyl-benzenesulfonamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2,4,6-trimethylbenzenesulfonamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2,4,6-trimethylbenzenesulfonamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2,4,6-trimethyl-benzenesulfonamide Formula: C22H31N2O3S+ MolecularWeight: 403.55814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O3S/c1-16-13-17(2)22(18(3)14-16)28(25,26)23-15-21(24-11-5-6-12-24)19-7-9-20(27-4)10-8-19/h7-10,13-14,21,23H,5-6,11-12,15H2,1-4H3/p+1/t21-/m0/s1