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

Systemtic Name: [3-[4-(3-oxidanylidenepiperazin-1-ium-1-yl)butanoylamino]phenyl]methylazanium Openeye Name: [3-[4-(3-oxopiperazin-1-ium-1-yl)butanoylamino]phenyl]methylammonium CAS Name: [3-[[1-oxo-4-(3-oxo-1-piperazin-1-iumyl)butyl]amino]phenyl]methylammonium IUPAC Name: [3-[4-(3-oxopiperazin-1-ium-1-yl)butanoylamino]phenyl]methylazanium Traditional Name: [3-[4-(3-ketopiperazin-1-ium-1-yl)butanoylamino]benzyl]ammonium Formula: C15H24N4O2+2 MolecularWeight: 292.37666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O2/c16-10-12-3-1-4-13(9-12)18-14(20)5-2-7-19-8-6-17-15(21)11-19/h1,3-4,9H,2,5-8,10-11,16H2,(H,17,21)(H,18,20)/p+2