2-[4-[[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-4-ium-1-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-4-iumyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-4-ium-1-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[4-(2-keto-2-piperidino-ethyl)piperazin-4-ium-1-yl]methyl]phenyl]benzonitrile Formula: C25H31N4O+ MolecularWeight: 403.53984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C25H30N4O/c26-18-23-6-2-3-7-24(23)22-10-8-21(9-11-22)19-27-14-16-28(17-15-27)20-25(30)29-12-4-1-5-13-29/h2-3,6-11H,1,4-5,12-17,19-20H2/p+1