N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(3,5-dimethylphenoxy)ethanamide

Systemtic Name: N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(3,5-dimethylphenoxy)ethanamide Openeye Name: N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(3,5-dimethylphenoxy)acetamide CAS Name: N-[(2S)-2-(4-chlorophenyl)-2-(1-piperidin-1-iumyl)ethyl]-2-(3,5-dimethylphenoxy)acetamide IUPAC Name: N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ium-1-ylethyl]-2-(3,5-dimethylphenoxy)acetamide Traditional Name: N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(3,5-dimethylphenoxy)acetamide Formula: C23H30ClN2O2+ MolecularWeight: 401.9495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)NCC(C2=CC=C(C=C2)Cl)[NH+]3CCCCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)NC[C@H](C2=CC=C(C=C2)Cl)[NH+]3CCCCC3)C

InChI

InChI=1S/C23H29ClN2O2/c1-17-12-18(2)14-21(13-17)28-16-23(27)25-15-22(26-10-4-3-5-11-26)19-6-8-20(24)9-7-19/h6-9,12-14,22H,3-5,10-11,15-16H2,1-2H3,(H,25,27)/p+1/t22-/m1/s1