[4-[2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanoylamino]phenyl]methylazanium

Systemtic Name: [4-[2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanoylamino]phenyl]methylazanium Openeye Name: [4-[[2-(3-oxopiperazin-1-ium-1-yl)acetyl]amino]phenyl]methylammonium CAS Name: [4-[[1-oxo-2-(3-oxo-1-piperazin-1-iumyl)ethyl]amino]phenyl]methylammonium IUPAC Name: [4-[[2-(3-oxopiperazin-1-ium-1-yl)acetyl]amino]phenyl]methylazanium Traditional Name: [4-[[2-(3-ketopiperazin-1-ium-1-yl)acetyl]amino]benzyl]ammonium Formula: C13H20N4O2+2 MolecularWeight: 264.3235

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC(=O)NC2=CC=C(C=C2)C[NH3+]

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC(=O)NC2=CC=C(C=C2)C[NH3+]

InChI

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