(3S)-1-[(2S)-3-[(4-chlorophenyl)methoxy]-2-oxidanyl-propyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(2S)-3-[(4-chlorophenyl)methoxy]-2-oxidanyl-propyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxy-propyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(2S)-3-(4-chlorobenzyl)oxy-2-hydroxy-propyl]piperidin-1-ium-3-carboxamide Formula: C16H24ClN2O3+ MolecularWeight: 327.82636

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(COCC2=CC=C(C=C2)Cl)O)C(=O)N

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C[C@@H](COCC2=CC=C(C=C2)Cl)O)C(=O)N

InChI

InChI=1S/C16H23ClN2O3/c17-14-5-3-12(4-6-14)10-22-11-15(20)9-19-7-1-2-13(8-19)16(18)21/h3-6,13,15,20H,1-2,7-11H2,(H2,18,21)/p+1/t13-,15-/m0/s1