3-(3-oxidanylidenepiperazin-1-ium-1-yl)propanenitrile

Systemtic Name: 3-(3-oxidanylidenepiperazin-1-ium-1-yl)propanenitrile Openeye Name: 3-(3-oxopiperazin-1-ium-1-yl)propanenitrile CAS Name: 3-(3-oxo-1-piperazin-1-iumyl)propanenitrile IUPAC Name: 3-(3-oxopiperazin-1-ium-1-yl)propanenitrile Traditional Name: 3-(3-ketopiperazin-1-ium-1-yl)propionitrile Formula: C7H12N3O+ MolecularWeight: 154.18968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H11N3O/c8-2-1-4-10-5-3-9-7(11)6-10/h1,3-6H2,(H,9,11)/p+1