2-[4-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]phenyl]benzonitrile Formula: C24H24N3O+ MolecularWeight: 370.46686

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C4=CC=CC=C4O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C4=CC=CC=C4O

InChI

InChI=1S/C24H23N3O/c25-17-21-5-1-2-6-22(21)20-11-9-19(10-12-20)18-26-13-15-27(16-14-26)23-7-3-4-8-24(23)28/h1-12,28H,13-16,18H2/p+1