2-(4-chloranyl-3,5-dimethyl-phenoxy)-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]ethanamide

Systemtic Name: 2-(4-chloranyl-3,5-dimethyl-phenoxy)-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]ethanamide Openeye Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]acetamide CAS Name: 2-(4-chloro-3,5-dimethylphenoxy)-N-[(2S)-2-(1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]acetamide IUPAC Name: 2-(4-chloro-3,5-dimethylphenoxy)-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-ylethyl]acetamide Traditional Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]acetamide Formula: C21H28ClN2O2S+ MolecularWeight: 407.97722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(=O)NCC(C2=CC=CS2)[NH+]3CCCCC3

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC(=O)NC[C@@H](C2=CC=CS2)[NH+]3CCCCC3

InChI

InChI=1S/C21H27ClN2O2S/c1-15-11-17(12-16(2)21(15)22)26-14-20(25)23-13-18(19-7-6-10-27-19)24-8-4-3-5-9-24/h6-7,10-12,18H,3-5,8-9,13-14H2,1-2H3,(H,23,25)/p+1/t18-/m0/s1