2-chloranyl-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-5-methylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-5-methylsulfonyl-benzamide Openeye Name: 2-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-5-methylsulfonyl-benzamide CAS Name: 2-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-5-methylsulfonylbenzamide IUPAC Name: 2-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-5-methylsulfonylbenzamide Traditional Name: 2-chloro-5-mesyl-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide Formula: C22H28ClN2O4S+ MolecularWeight: 451.98672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl)[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl)[NH+]3CCCCC3

InChI

InChI=1S/C22H27ClN2O4S/c1-29-17-8-6-16(7-9-17)21(25-12-4-3-5-13-25)15-24-22(26)19-14-18(30(2,27)28)10-11-20(19)23/h6-11,14,21H,3-5,12-13,15H2,1-2H3,(H,24,26)/p+1/t21-/m0/s1