2-[4-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-4-ium-1-yl]ethanenitrile

Systemtic Name: 2-[4-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-4-ium-1-yl]ethanenitrile Openeye Name: 2-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-4-ium-1-yl]acetonitrile CAS Name: 2-[4-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-1-piperazin-4-iumyl]acetonitrile IUPAC Name: 2-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-4-ium-1-yl]acetonitrile Traditional Name: 2-[4-[2-keto-2-(4-phenylpiperazino)ethyl]piperazin-4-ium-1-yl]acetonitrile Formula: C18H26N5O+ MolecularWeight: 328.43194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)C3=CC=CC=C3)CC#N

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)C3=CC=CC=C3)CC#N

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+1