N-(4-azanyl-2-chloranyl-phenyl)-3-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-(4-azanyl-2-chloranyl-phenyl)-3-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide Openeye Name: N-(4-amino-2-chloro-phenyl)-3-(3-oxopiperazin-1-ium-1-yl)propanamide CAS Name: N-(4-amino-2-chlorophenyl)-3-(3-oxo-1-piperazin-1-iumyl)propanamide IUPAC Name: N-(4-amino-2-chlorophenyl)-3-(3-oxopiperazin-1-ium-1-yl)propanamide Traditional Name: N-(4-amino-2-chloro-phenyl)-3-(3-ketopiperazin-1-ium-1-yl)propionamide Formula: C13H18ClN4O2+ MolecularWeight: 297.76062

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CCC(=O)NC2=C(C=C(C=C2)N)Cl

Isomeric SMILES

C1C[NH+](CC(=O)N1)CCC(=O)NC2=C(C=C(C=C2)N)Cl

InChI

InChI=1S/C13H17ClN4O2/c14-10-7-9(15)1-2-11(10)17-12(19)3-5-18-6-4-16-13(20)8-18/h1-2,7H,3-6,8,15H2,(H,16,20)(H,17,19)/p+1