3-oxidanylidene-3-piperazin-4-ium-1-yl-propanenitrile

Systemtic Name: 3-oxidanylidene-3-piperazin-4-ium-1-yl-propanenitrile Openeye Name: 3-oxo-3-piperazin-4-ium-1-yl-propanenitrile CAS Name: 3-oxo-3-(1-piperazin-4-iumyl)propanenitrile IUPAC Name: 3-oxo-3-piperazin-4-ium-1-ylpropanenitrile Traditional Name: 3-keto-3-piperazin-4-ium-1-yl-propionitrile Formula: C7H12N3O+ MolecularWeight: 154.18968

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)CC#N

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)CC#N

InChI

InChI=1S/C7H11N3O/c8-2-1-7(11)10-5-3-9-4-6-10/h9H,1,3-6H2/p+1