4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzenecarbonitrile

Systemtic Name: 4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzenecarbonitrile Openeye Name: 4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzonitrile CAS Name: 4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]benzonitrile IUPAC Name: 4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzonitrile Traditional Name: 4-(4-pyridin-1-ium-2-ylpiperazino)benzonitrile Formula: C16H17N4+ MolecularWeight: 265.33298

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C#N)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C#N)C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H16N4/c17-13-14-4-6-15(7-5-14)19-9-11-20(12-10-19)16-3-1-2-8-18-16/h1-8H,9-12H2/p+1