(E)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-enenitrile Openeye Name: (E)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-enenitrile CAS Name: (E)-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-propenenitrile IUPAC Name: (E)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-enenitrile Traditional Name: (E)-3-(4-pyridin-1-ium-2-ylpiperazino)acrylonitrile Formula: C12H15N4+ MolecularWeight: 215.2743

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=CC#N)C2=CC=CC=[NH+]2

Isomeric SMILES

C1CN(CCN1/C=C/C#N)C2=CC=CC=[NH+]2

InChI

InChI=1S/C12H14N4/c13-5-3-7-15-8-10-16(11-9-15)12-4-1-2-6-14-12/h1-4,6-7H,8-11H2/p+1/b7-3+