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

Systemtic Name: 3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propionitrile Formula: C13H18N3O+ MolecularWeight: 232.30152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O/c14-6-1-7-15-8-10-16(11-9-15)12-2-4-13(17)5-3-12/h2-5,17H,1,7-11H2/p+1