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

Systemtic Name: N-(3-aminophenyl)-4-(3-oxidanylidenepiperazin-1-ium-1-yl)butanamide Openeye Name: N-(3-aminophenyl)-4-(3-oxopiperazin-1-ium-1-yl)butanamide CAS Name: N-(3-aminophenyl)-4-(3-oxo-1-piperazin-1-iumyl)butanamide IUPAC Name: N-(3-aminophenyl)-4-(3-oxopiperazin-1-ium-1-yl)butanamide Traditional Name: N-(3-aminophenyl)-4-(3-ketopiperazin-1-ium-1-yl)butyramide Formula: C14H21N4O2+ MolecularWeight: 277.34214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O2/c15-11-3-1-4-12(9-11)17-13(19)5-2-7-18-8-6-16-14(20)10-18/h1,3-4,9H,2,5-8,10,15H2,(H,16,20)(H,17,19)/p+1