3-chloranyl-N-cyclopentyl-4-[1-[(2R)-4-methylsulfanylbutan-2-yl]piperidin-1-ium-4-yl]oxy-benzamide

Systemtic Name: 3-chloranyl-N-cyclopentyl-4-[1-[(2R)-4-methylsulfanylbutan-2-yl]piperidin-1-ium-4-yl]oxy-benzamide Openeye Name: 3-chloro-N-cyclopentyl-4-[1-[(1R)-1-methyl-3-methylsulfanyl-propyl]piperidin-1-ium-4-yl]oxy-benzamide CAS Name: 3-chloro-N-cyclopentyl-4-[[1-[(2R)-4-(methylthio)butan-2-yl]-4-piperidin-1-iumyl]oxy]benzamide IUPAC Name: 3-chloro-N-cyclopentyl-4-[1-[(2R)-4-methylsulfanylbutan-2-yl]piperidin-1-ium-4-yl]oxybenzamide Traditional Name: 3-chloro-N-cyclopentyl-4-[1-[(1R)-1-methyl-3-(methylthio)propyl]piperidin-1-ium-4-yl]oxy-benzamide Formula: C22H34ClN2O2S+ MolecularWeight: 426.03556

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCSC)[NH+]1CCC(CC1)OC2=C(C=C(C=C2)C(=O)NC3CCCC3)Cl

Isomeric SMILES

C[C@H](CCSC)[NH+]1CCC(CC1)OC2=C(C=C(C=C2)C(=O)NC3CCCC3)Cl

InChI

InChI=1S/C22H33ClN2O2S/c1-16(11-14-28-2)25-12-9-19(10-13-25)27-21-8-7-17(15-20(21)23)22(26)24-18-5-3-4-6-18/h7-8,15-16,18-19H,3-6,9-14H2,1-2H3,(H,24,26)/p+1/t16-/m1/s1