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

Systemtic Name: 3-chloranyl-N-cyclopentyl-4-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-yl]oxy-benzamide Openeye Name: 3-chloro-N-cyclopentyl-4-[1-[(1S)-1-methyl-2-methylsulfanyl-ethyl]piperidin-1-ium-4-yl]oxy-benzamide CAS Name: 3-chloro-N-cyclopentyl-4-[[1-[(2S)-1-(methylthio)propan-2-yl]-4-piperidin-1-iumyl]oxy]benzamide IUPAC Name: 3-chloro-N-cyclopentyl-4-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-yl]oxybenzamide Traditional Name: 3-chloro-N-cyclopentyl-4-[1-[(1S)-1-methyl-2-(methylthio)ethyl]piperidin-1-ium-4-yl]oxy-benzamide Formula: C21H32ClN2O2S+ MolecularWeight: 412.00898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31ClN2O2S/c1-15(14-27-2)24-11-9-18(10-12-24)26-20-8-7-16(13-19(20)22)21(25)23-17-5-3-4-6-17/h7-8,13,15,17-18H,3-6,9-12,14H2,1-2H3,(H,23,25)/p+1/t15-/m0/s1