2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]benzenecarbonitrile Openeye Name: 2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]benzonitrile CAS Name: 2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]benzonitrile Traditional Name: 2-[(4-pyridin-1-ium-2-ylpiperazino)methyl]benzonitrile Formula: C17H19N4+ MolecularWeight: 279.35956

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2C#N)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2C#N)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H18N4/c18-13-15-5-1-2-6-16(15)14-20-9-11-21(12-10-20)17-7-3-4-8-19-17/h1-8H,9-12,14H2/p+1