4-[[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(4-hydroxyphenyl)ethyl]-1-piperidin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-ium-1-yl]methyl]benzonitrile Formula: C21H25N2O+ MolecularWeight: 321.436

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC2=CC=C(C=C2)O)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1C[NH+](CCC1CCC2=CC=C(C=C2)O)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H24N2O/c22-15-19-3-5-20(6-4-19)16-23-13-11-18(12-14-23)2-1-17-7-9-21(24)10-8-17/h3-10,18,24H,1-2,11-14,16H2/p+1