N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-4-methylsulfonyl-benzamide

Systemtic Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-4-methylsulfonyl-benzamide Openeye Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-4-methylsulfonyl-benzamide CAS Name: N-[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-4-methylsulfonylbenzamide IUPAC Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]-4-methylsulfonylbenzamide Traditional Name: 4-mesyl-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]benzamide Formula: C20H27N2O3S2+ MolecularWeight: 407.56998

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CS3

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC(=O)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CS3

InChI

InChI=1S/C20H26N2O3S2/c1-15-9-11-22(12-10-15)18(19-4-3-13-26-19)14-21-20(23)16-5-7-17(8-6-16)27(2,24)25/h3-8,13,15,18H,9-12,14H2,1-2H3,(H,21,23)/p+1/t18-/m1/s1