2-(4-phenylpiperazin-1-ium-1-yl)ethanenitrile

Systemtic Name: 2-(4-phenylpiperazin-1-ium-1-yl)ethanenitrile Openeye Name: 2-(4-phenylpiperazin-1-ium-1-yl)acetonitrile CAS Name: 2-(4-phenyl-1-piperazin-1-iumyl)acetonitrile IUPAC Name: 2-(4-phenylpiperazin-1-ium-1-yl)acetonitrile Traditional Name: 2-(4-phenylpiperazin-1-ium-1-yl)acetonitrile Formula: C12H16N3+ MolecularWeight: 202.27554

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC#N)C2=CC=CC=C2

Isomeric SMILES

C1CN(CC[NH+]1CC#N)C2=CC=CC=C2

InChI

InChI=1S/C12H15N3/c13-6-7-14-8-10-15(11-9-14)12-4-2-1-3-5-12/h1-5H,7-11H2/p+1