N-[(2S)-3-methyl-2-(4-methylpiperidin-1-ium-1-yl)butyl]-3-(methylsulfonylmethyl)benzamide

Systemtic Name: N-[(2S)-3-methyl-2-(4-methylpiperidin-1-ium-1-yl)butyl]-3-(methylsulfonylmethyl)benzamide Openeye Name: N-[(2S)-3-methyl-2-(4-methylpiperidin-1-ium-1-yl)butyl]-3-(methylsulfonylmethyl)benzamide CAS Name: N-[(2S)-3-methyl-2-(4-methyl-1-piperidin-1-iumyl)butyl]-3-(methylsulfonylmethyl)benzamide IUPAC Name: N-[(2S)-3-methyl-2-(4-methylpiperidin-1-ium-1-yl)butyl]-3-(methylsulfonylmethyl)benzamide Traditional Name: 3-(mesylmethyl)-N-[(2S)-3-methyl-2-(4-methylpiperidin-1-ium-1-yl)butyl]benzamide Formula: C20H33N2O3S+ MolecularWeight: 381.55262

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)C2=CC(=CC=C2)CS(=O)(=O)C)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H32N2O3S/c1-15(2)19(22-10-8-16(3)9-11-22)13-21-20(23)18-7-5-6-17(12-18)14-26(4,24)25/h5-7,12,15-16,19H,8-11,13-14H2,1-4H3,(H,21,23)/p+1/t19-/m1/s1