3-(3-chlorophenyl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide

Systemtic Name: 3-(3-chlorophenyl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide Openeye Name: 3-(3-chlorophenyl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide CAS Name: 3-(3-chlorophenyl)-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]propanamide IUPAC Name: 3-(3-chlorophenyl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide Traditional Name: 3-(3-chlorophenyl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propionamide Formula: C22H28ClN2O+ MolecularWeight: 371.92352

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC2=CC=CC=C2)NC(=O)CCC3=CC(=CC=C3)Cl

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC2=CC=CC=C2)NC(=O)CCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H27ClN2O/c23-20-9-4-8-19(16-20)11-12-22(26)24-21-10-5-14-25(17-21)15-13-18-6-2-1-3-7-18/h1-4,6-9,16,21H,5,10-15,17H2,(H,24,26)/p+1/t21-/m0/s1