(3R)-1-[(2S)-3-[(2-chlorophenyl)methoxy]-2-oxidanyl-propyl]-N-phenyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[(2S)-3-[(2-chlorophenyl)methoxy]-2-oxidanyl-propyl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[(2S)-3-[(2-chlorophenyl)methoxy]-2-hydroxy-propyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[(2S)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[(2S)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[(2S)-3-(2-chlorobenzyl)oxy-2-hydroxy-propyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C22H28ClN2O3+ MolecularWeight: 403.92232

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(COCC2=CC=CC=C2Cl)O)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1C[C@H](C[NH+](C1)C[C@@H](COCC2=CC=CC=C2Cl)O)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H27ClN2O3/c23-21-11-5-4-7-18(21)15-28-16-20(26)14-25-12-6-8-17(13-25)22(27)24-19-9-2-1-3-10-19/h1-5,7,9-11,17,20,26H,6,8,12-16H2,(H,24,27)/p+1/t17-,20+/m1/s1