[4-[[(2S)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)propanoyl]amino]phenyl]methylazanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C[NH3+])[NH+]2CCNC(=O)C2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C[NH3+])[NH+]2CCNC(=O)C2

InChI

InChI=1S/C14H20N4O2/c1-10(18-7-6-16-13(19)9-18)14(20)17-12-4-2-11(8-15)3-5-12/h2-5,10H,6-9,15H2,1H3,(H,16,19)(H,17,20)/p+2/t10-/m0/s1