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

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-4-methylsulfonyl-benzamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-4-methylsulfonyl-benzamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-4-methylsulfonylbenzamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-4-methylsulfonylbenzamide Traditional Name: 4-mesyl-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide Formula: C22H29N2O4S+ MolecularWeight: 417.54166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S/c1-28-19-10-6-17(7-11-19)21(24-14-4-3-5-15-24)16-23-22(25)18-8-12-20(13-9-18)29(2,26)27/h6-13,21H,3-5,14-16H2,1-2H3,(H,23,25)/p+1/t21-/m0/s1