N-(4-aminophenyl)-3-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-(4-aminophenyl)-3-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide Openeye Name: N-(4-aminophenyl)-3-(3-oxopiperazin-1-ium-1-yl)propanamide CAS Name: N-(4-aminophenyl)-3-(3-oxo-1-piperazin-1-iumyl)propanamide IUPAC Name: N-(4-aminophenyl)-3-(3-oxopiperazin-1-ium-1-yl)propanamide Traditional Name: N-(4-aminophenyl)-3-(3-ketopiperazin-1-ium-1-yl)propionamide Formula: C13H19N4O2+ MolecularWeight: 263.31556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O2/c14-10-1-3-11(4-2-10)16-12(18)5-7-17-8-6-15-13(19)9-17/h1-4H,5-9,14H2,(H,15,19)(H,16,18)/p+1