3-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 3-[[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 3-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 3-[[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(=C2)C#N)C3=CC=C(C=C3)O

Isomeric SMILES

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

InChI

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