N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-methylsulfonyl-benzamide

Systemtic Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-methylsulfonyl-benzamide Openeye Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-methylsulfonyl-benzamide CAS Name: N-[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-methylsulfonylbenzamide IUPAC Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-4-methylsulfonylbenzamide Traditional Name: 4-mesyl-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Formula: C21H27N2O4S+ MolecularWeight: 403.51508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNC(=O)C2=CC=C(C=C2)S(=O)(=O)C)[NH+]3CCCC3

Isomeric SMILES

COC1=CC=CC=C1[C@H](CNC(=O)C2=CC=C(C=C2)S(=O)(=O)C)[NH+]3CCCC3

InChI

InChI=1S/C21H26N2O4S/c1-27-20-8-4-3-7-18(20)19(23-13-5-6-14-23)15-22-21(24)16-9-11-17(12-10-16)28(2,25)26/h3-4,7-12,19H,5-6,13-15H2,1-2H3,(H,22,24)/p+1/t19-/m0/s1