N-[3,5-bis(chloranyl)phenyl]-2-[(2S)-4-(2-hydroxyethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[3,5-bis(chloranyl)phenyl]-2-[(2S)-4-(2-hydroxyethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(3,5-dichlorophenyl)-2-[(2S)-4-(2-hydroxyethyl)-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-(3,5-dichlorophenyl)-2-[(2S)-4-(2-hydroxyethyl)-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(3,5-dichlorophenyl)-2-[(2S)-4-(2-hydroxyethyl)-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-(3,5-dichlorophenyl)-2-[(2S)-4-(2-hydroxyethyl)-3-keto-piperazin-1-ium-2-yl]acetamide Formula: C14H18Cl2N3O3+ MolecularWeight: 347.21702

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C([NH2+]1)CC(=O)NC2=CC(=CC(=C2)Cl)Cl)CCO

Isomeric SMILES

C1CN(C(=O)[C@@H]([NH2+]1)CC(=O)NC2=CC(=CC(=C2)Cl)Cl)CCO

InChI

InChI=1S/C14H17Cl2N3O3/c15-9-5-10(16)7-11(6-9)18-13(21)8-12-14(22)19(3-4-20)2-1-17-12/h5-7,12,17,20H,1-4,8H2,(H,18,21)/p+1/t12-/m0/s1