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

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2,4-dimethyl-benzenesulfonamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2,4-dimethyl-benzenesulfonamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2,4-dimethylbenzenesulfonamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2,4-dimethylbenzenesulfonamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2,4-dimethyl-benzenesulfonamide Formula: C21H29N2O3S+ MolecularWeight: 389.53156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3S/c1-16-6-11-21(17(2)14-16)27(24,25)22-15-20(23-12-4-5-13-23)18-7-9-19(26-3)10-8-18/h6-11,14,20,22H,4-5,12-13,15H2,1-3H3/p+1/t20-/m0/s1