1-[(2S)-3-[3,4-bis(chloranyl)phenoxy]-2-oxidanyl-propyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-3-[3,4-bis(chloranyl)phenoxy]-2-oxidanyl-propyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2S)-3-(3,4-dichlorophenoxy)-2-hydroxy-propyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-3-(3,4-dichlorophenoxy)-2-hydroxypropyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-3-(3,4-dichlorophenoxy)-2-hydroxypropyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(2S)-3-(3,4-dichlorophenoxy)-2-hydroxy-propyl]piperidin-1-ium-4-carboxamide Formula: C15H21Cl2N2O3+ MolecularWeight: 348.24484

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CC(COC2=CC(=C(C=C2)Cl)Cl)O

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)C[C@@H](COC2=CC(=C(C=C2)Cl)Cl)O

InChI

InChI=1S/C15H20Cl2N2O3/c16-13-2-1-12(7-14(13)17)22-9-11(20)8-19-5-3-10(4-6-19)15(18)21/h1-2,7,10-11,20H,3-6,8-9H2,(H2,18,21)/p+1/t11-/m0/s1