2-[4-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1,4-diium-1-yl]ethanenitrile

Systemtic Name: 2-[4-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1,4-diium-1-yl]ethanenitrile Openeye Name: 2-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1,4-diium-1-yl]acetonitrile CAS Name: 2-[4-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-1-piperazine-1,4-diiumyl]acetonitrile IUPAC Name: 2-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1,4-diium-1-yl]acetonitrile Traditional Name: 2-[4-[2-keto-2-(4-phenylpiperazino)ethyl]piperazine-1,4-diium-1-yl]acetonitrile Formula: C18H27N5O+2 MolecularWeight: 329.43988

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC#N)CC(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CC[NH+]1CC#N)CC(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C18H25N5O/c19-6-7-20-8-10-21(11-9-20)16-18(24)23-14-12-22(13-15-23)17-4-2-1-3-5-17/h1-5H,7-16H2/p+2