2-chloranyl-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-methylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-methylsulfonyl-benzamide Openeye Name: 2-chloro-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-methylsulfonyl-benzamide CAS Name: 2-chloro-N-[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-5-methylsulfonylbenzamide IUPAC Name: 2-chloro-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-5-methylsulfonylbenzamide Traditional Name: 2-chloro-5-mesyl-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Formula: C21H26ClN2O4S+ MolecularWeight: 437.96014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O4S/c1-28-20-8-4-3-7-16(20)19(24-11-5-6-12-24)14-23-21(25)17-13-15(29(2,26)27)9-10-18(17)22/h3-4,7-10,13,19H,5-6,11-12,14H2,1-2H3,(H,23,25)/p+1/t19-/m0/s1