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

Systemtic Name: 4-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(3-oxopiperazin-1-ium-1-yl)methyl]benzonitrile CAS Name: 4-[(3-oxo-1-piperazin-1-iumyl)methyl]benzonitrile IUPAC Name: 4-[(3-oxopiperazin-1-ium-1-yl)methyl]benzonitrile Traditional Name: 4-[(3-ketopiperazin-1-ium-1-yl)methyl]benzonitrile Formula: C12H14N3O+ MolecularWeight: 216.25906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O/c13-7-10-1-3-11(4-2-10)8-15-6-5-14-12(16)9-15/h1-4H,5-6,8-9H2,(H,14,16)/p+1