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

Systemtic Name: 4-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]butanenitrile Openeye Name: 4-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]butanenitrile CAS Name: 4-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]butanenitrile IUPAC Name: 4-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]butanenitrile Traditional Name: 4-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]butyronitrile Formula: C14H20N3O+ MolecularWeight: 246.3281

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC#N)C2=CC=CC=C2O

Isomeric SMILES

C1CN(CC[NH+]1CCCC#N)C2=CC=CC=C2O

InChI

InChI=1S/C14H19N3O/c15-7-3-4-8-16-9-11-17(12-10-16)13-5-1-2-6-14(13)18/h1-2,5-6,18H,3-4,8-12H2/p+1