3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propanenitrile

Systemtic Name: 3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propanenitrile Openeye Name: 3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propanenitrile CAS Name: 3-oxo-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propanenitrile IUPAC Name: 3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propanenitrile Traditional Name: 3-keto-3-(4-pyridin-1-ium-2-ylpiperazino)propionitrile Formula: C12H15N4O+ MolecularWeight: 231.2737

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CC#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CC#N

InChI

InChI=1S/C12H14N4O/c13-5-4-12(17)16-9-7-15(8-10-16)11-3-1-2-6-14-11/h1-3,6H,4,7-10H2/p+1