[4-[2-oxidanylidene-2-(3-oxidanylidenepiperazin-1-yl)ethoxy]phenyl]methylazanium

Systemtic Name: [4-[2-oxidanylidene-2-(3-oxidanylidenepiperazin-1-yl)ethoxy]phenyl]methylazanium Openeye Name: [4-[2-oxo-2-(3-oxopiperazin-1-yl)ethoxy]phenyl]methylammonium CAS Name: [4-[2-oxo-2-(3-oxo-1-piperazinyl)ethoxy]phenyl]methylammonium IUPAC Name: [4-[2-oxo-2-(3-oxopiperazin-1-yl)ethoxy]phenyl]methylazanium Traditional Name: [4-[2-keto-2-(3-ketopiperazino)ethoxy]benzyl]ammonium Formula: C13H18N3O3+ MolecularWeight: 264.30032

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C(=O)COC2=CC=C(C=C2)C[NH3+]

Isomeric SMILES

C1CN(CC(=O)N1)C(=O)COC2=CC=C(C=C2)C[NH3+]

InChI

InChI=1S/C13H17N3O3/c14-7-10-1-3-11(4-2-10)19-9-13(18)16-6-5-15-12(17)8-16/h1-4H,5-9,14H2,(H,15,17)/p+1