N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(2-methylphenoxy)ethanamide

Systemtic Name: N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(2-methylphenoxy)ethanamide Openeye Name: N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(2-methylphenoxy)acetamide CAS Name: N-[(2S)-2-(4-chlorophenyl)-2-(1-piperidin-1-iumyl)ethyl]-2-(2-methylphenoxy)acetamide IUPAC Name: N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ium-1-ylethyl]-2-(2-methylphenoxy)acetamide Traditional Name: N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(2-methylphenoxy)acetamide Formula: C22H28ClN2O2+ MolecularWeight: 387.92292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)NCC(C2=CC=C(C=C2)Cl)[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)NC[C@H](C2=CC=C(C=C2)Cl)[NH+]3CCCCC3

InChI

InChI=1S/C22H27ClN2O2/c1-17-7-3-4-8-21(17)27-16-22(26)24-15-20(25-13-5-2-6-14-25)18-9-11-19(23)12-10-18/h3-4,7-12,20H,2,5-6,13-16H2,1H3,(H,24,26)/p+1/t20-/m1/s1