[4-(3-oxidanylidenepiperazin-1-yl)carbonylphenyl]methylazanium

Systemtic Name: [4-(3-oxidanylidenepiperazin-1-yl)carbonylphenyl]methylazanium Openeye Name: [4-(3-oxopiperazine-1-carbonyl)phenyl]methylammonium CAS Name: [4-[oxo-(3-oxo-1-piperazinyl)methyl]phenyl]methylammonium IUPAC Name: [4-(3-oxopiperazine-1-carbonyl)phenyl]methylazanium Traditional Name: [4-(3-ketopiperazine-1-carbonyl)benzyl]ammonium Formula: C12H16N3O2+ MolecularWeight: 234.27434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O2/c13-7-9-1-3-10(4-2-9)12(17)15-6-5-14-11(16)8-15/h1-4H,5-8,13H2,(H,14,16)/p+1