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

Systemtic Name: [4-[4-(3-oxidanylidenepiperazin-1-ium-1-yl)butanoylamino]phenyl]methylazanium Openeye Name: [4-[4-(3-oxopiperazin-1-ium-1-yl)butanoylamino]phenyl]methylammonium CAS Name: [4-[[1-oxo-4-(3-oxo-1-piperazin-1-iumyl)butyl]amino]phenyl]methylammonium IUPAC Name: [4-[4-(3-oxopiperazin-1-ium-1-yl)butanoylamino]phenyl]methylazanium Traditional Name: [4-[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=C(C=C2)C[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O2/c16-10-12-3-5-13(6-4-12)18-14(20)2-1-8-19-9-7-17-15(21)11-19/h3-6H,1-2,7-11,16H2,(H,17,21)(H,18,20)/p+2