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

Systemtic Name: [4-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]phenyl]methylazanium Openeye Name: [4-[(3-oxopiperazin-1-ium-1-yl)methyl]phenyl]methylammonium CAS Name: [4-[(3-oxo-1-piperazin-1-iumyl)methyl]phenyl]methylammonium IUPAC Name: [4-[(3-oxopiperazin-1-ium-1-yl)methyl]phenyl]methylazanium Traditional Name: [4-[(3-ketopiperazin-1-ium-1-yl)methyl]benzyl]ammonium Formula: C12H19N3O+2 MolecularWeight: 221.29876

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC2=CC=C(C=C2)C[NH3+]

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC2=CC=C(C=C2)C[NH3+]

InChI

InChI=1S/C12H17N3O/c13-7-10-1-3-11(4-2-10)8-15-6-5-14-12(16)9-15/h1-4H,5-9,13H2,(H,14,16)/p+2