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

Systemtic Name: 3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propanenitrile Openeye Name: 3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propanenitrile CAS Name: 3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propanenitrile IUPAC Name: 3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propanenitrile Traditional Name: 3-(4-pyridin-1-ium-2-ylpiperazino)propionitrile Formula: C12H17N4+ MolecularWeight: 217.29018

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC#N)C2=CC=CC=[NH+]2

Isomeric SMILES

C1CN(CCN1CCC#N)C2=CC=CC=[NH+]2

InChI

InChI=1S/C12H16N4/c13-5-3-7-15-8-10-16(11-9-15)12-4-1-2-6-14-12/h1-2,4,6H,3,7-11H2/p+1