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

Systemtic Name: [4-[3-(3-oxidanylidenepiperazin-1-ium-1-yl)propanoylamino]phenyl]methylazanium Openeye Name: [4-[3-(3-oxopiperazin-1-ium-1-yl)propanoylamino]phenyl]methylammonium CAS Name: [4-[[1-oxo-3-(3-oxo-1-piperazin-1-iumyl)propyl]amino]phenyl]methylammonium IUPAC Name: [4-[3-(3-oxopiperazin-1-ium-1-yl)propanoylamino]phenyl]methylazanium Traditional Name: [4-[3-(3-ketopiperazin-1-ium-1-yl)propanoylamino]benzyl]ammonium Formula: C14H22N4O2+2 MolecularWeight: 278.35008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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