3-[[5-oxidanylidene-4-[phenyl(piperidin-1-yl)methyl]-1H-1,2,4-triazol-4-ium-4-yl]methoxymethyl]benzenecarbonitrile

Systemtic Name: 3-[[5-oxidanylidene-4-[phenyl(piperidin-1-yl)methyl]-1H-1,2,4-triazol-4-ium-4-yl]methoxymethyl]benzenecarbonitrile Openeye Name: 3-[[5-oxo-4-[phenyl(1-piperidyl)methyl]-1H-1,2,4-triazol-4-ium-4-yl]methoxymethyl]benzonitrile CAS Name: 3-[[5-oxo-4-[phenyl(1-piperidinyl)methyl]-1H-1,2,4-triazol-4-ium-4-yl]methoxymethyl]benzonitrile IUPAC Name: 3-[[5-oxo-4-[phenyl(piperidin-1-yl)methyl]-1H-1,2,4-triazol-4-ium-4-yl]methoxymethyl]benzonitrile Traditional Name: 3-[[5-keto-4-[phenyl(piperidino)methyl]-1H-1,2,4-triazol-4-ium-4-yl]methoxymethyl]benzonitrile Formula: C23H26N5O2+ MolecularWeight: 404.48484

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(C2=CC=CC=C2)[N+]3(C=NNC3=O)COCC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CCN(CC1)C(C2=CC=CC=C2)[N+]3(C=NNC3=O)COCC4=CC=CC(=C4)C#N

InChI

InChI=1S/C23H25N5O2/c24-15-19-8-7-9-20(14-19)16-30-18-28(17-25-26-23(28)29)22(21-10-3-1-4-11-21)27-12-5-2-6-13-27/h1,3-4,7-11,14,17,22H,2,5-6,12-13,16,18H2/p+1