4-(3-oxidanylidenepiperazin-1-ium-1-yl)butanenitrile

Systemtic Name: 4-(3-oxidanylidenepiperazin-1-ium-1-yl)butanenitrile Openeye Name: 4-(3-oxopiperazin-1-ium-1-yl)butanenitrile CAS Name: 4-(3-oxo-1-piperazin-1-iumyl)butanenitrile IUPAC Name: 4-(3-oxopiperazin-1-ium-1-yl)butanenitrile Traditional Name: 4-(3-ketopiperazin-1-ium-1-yl)butyronitrile Formula: C8H14N3O+ MolecularWeight: 168.21626

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CCCC#N

Isomeric SMILES

C1C[NH+](CC(=O)N1)CCCC#N

InChI

InChI=1S/C8H13N3O/c9-3-1-2-5-11-6-4-10-8(12)7-11/h1-2,4-7H2,(H,10,12)/p+1