N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C14H18Cl2N3O2+ MolecularWeight: 331.21762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(C=C1)Cl)Cl)NC(=O)C[NH+]2CCNC(=O)C2

Isomeric SMILES

C[C@H](C1=C(C=C(C=C1)Cl)Cl)NC(=O)C[NH+]2CCNC(=O)C2

InChI

InChI=1S/C14H17Cl2N3O2/c1-9(11-3-2-10(15)6-12(11)16)18-14(21)8-19-5-4-17-13(20)7-19/h2-3,6,9H,4-5,7-8H2,1H3,(H,17,20)(H,18,21)/p+1/t9-/m1/s1