3-chloranyl-N-(2-methoxyethyl)-4-[1-[(2R)-4-methyl-4-methylsulfanyl-pentan-2-yl]piperidin-1-ium-4-yl]oxy-benzamide

Systemtic Name: 3-chloranyl-N-(2-methoxyethyl)-4-[1-[(2R)-4-methyl-4-methylsulfanyl-pentan-2-yl]piperidin-1-ium-4-yl]oxy-benzamide Openeye Name: 3-chloro-4-[1-[(1R)-1,3-dimethyl-3-methylsulfanyl-butyl]piperidin-1-ium-4-yl]oxy-N-(2-methoxyethyl)benzamide CAS Name: 3-chloro-N-(2-methoxyethyl)-4-[[1-[(2R)-4-methyl-4-(methylthio)pentan-2-yl]-4-piperidin-1-iumyl]oxy]benzamide IUPAC Name: 3-chloro-N-(2-methoxyethyl)-4-[1-[(2R)-4-methyl-4-methylsulfanylpentan-2-yl]piperidin-1-ium-4-yl]oxybenzamide Traditional Name: 3-chloro-4-[1-[(1R)-1,3-dimethyl-3-(methylthio)butyl]piperidin-1-ium-4-yl]oxy-N-(2-methoxyethyl)benzamide Formula: C22H36ClN2O3S+ MolecularWeight: 444.05084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](CC(C)(C)SC)[NH+]1CCC(CC1)OC2=C(C=C(C=C2)C(=O)NCCOC)Cl

InChI

InChI=1S/C22H35ClN2O3S/c1-16(15-22(2,3)29-5)25-11-8-18(9-12-25)28-20-7-6-17(14-19(20)23)21(26)24-10-13-27-4/h6-7,14,16,18H,8-13,15H2,1-5H3,(H,24,26)/p+1/t16-/m1/s1