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

Systemtic Name: 2-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 2-[[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 2-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 2-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C18H20N3O+ MolecularWeight: 294.3709

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2C#N)C3=CC=C(C=C3)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2C#N)C3=CC=C(C=C3)O

InChI

InChI=1S/C18H19N3O/c19-13-15-3-1-2-4-16(15)14-20-9-11-21(12-10-20)17-5-7-18(22)8-6-17/h1-8,22H,9-12,14H2/p+1