4-[(2S)-3-[2,4-bis(chloranyl)phenoxy]-2-oxidanyl-propyl]piperazin-4-ium-2-one

Systemtic Name: 4-[(2S)-3-[2,4-bis(chloranyl)phenoxy]-2-oxidanyl-propyl]piperazin-4-ium-2-one Openeye Name: 4-[(2S)-3-(2,4-dichlorophenoxy)-2-hydroxy-propyl]piperazin-4-ium-2-one CAS Name: 4-[(2S)-3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-2-piperazin-4-iumone IUPAC Name: 4-[(2S)-3-(2,4-dichlorophenoxy)-2-hydroxypropyl]piperazin-4-ium-2-one Traditional Name: 4-[(2S)-3-(2,4-dichlorophenoxy)-2-hydroxy-propyl]piperazin-4-ium-2-one Formula: C13H17Cl2N2O3+ MolecularWeight: 320.19168

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC(COC2=C(C=C(C=C2)Cl)Cl)O

Isomeric SMILES

C1C[NH+](CC(=O)N1)C[C@@H](COC2=C(C=C(C=C2)Cl)Cl)O

InChI

InChI=1S/C13H16Cl2N2O3/c14-9-1-2-12(11(15)5-9)20-8-10(18)6-17-4-3-16-13(19)7-17/h1-2,5,10,18H,3-4,6-8H2,(H,16,19)/p+1/t10-/m0/s1