3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-propanenitrile

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-propanenitrile Openeye Name: 3-(4-methylpiperazin-4-ium-1-yl)-3-oxo-propanenitrile CAS Name: 3-(4-methyl-1-piperazin-4-iumyl)-3-oxopropanenitrile IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)-3-oxopropanenitrile Traditional Name: 3-keto-3-(4-methylpiperazin-4-ium-1-yl)propionitrile Formula: C8H14N3O+ MolecularWeight: 168.21626

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CC#N

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CC#N

InChI

InChI=1S/C8H13N3O/c1-10-4-6-11(7-5-10)8(12)2-3-9/h2,4-7H2,1H3/p+1