N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2,5-dimethyl-benzenesulfonamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2,5-dimethyl-benzenesulfonamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2,5-dimethyl-benzenesulfonamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-2,5-dimethylbenzenesulfonamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-2,5-dimethylbenzenesulfonamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2,5-dimethyl-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+]3CCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NC[C@@H](C2=CC=C(C=C2)OC)[NH+]3CCCCC3

InChI

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