(2R)-2-(azepan-1-ium-1-yl)-2-(3-hydroxyphenyl)ethanenitrile

Systemtic Name: (2R)-2-(azepan-1-ium-1-yl)-2-(3-hydroxyphenyl)ethanenitrile Openeye Name: (2R)-2-(azepan-1-ium-1-yl)-2-(3-hydroxyphenyl)acetonitrile CAS Name: (2R)-2-(1-azepan-1-iumyl)-2-(3-hydroxyphenyl)acetonitrile IUPAC Name: (2R)-2-(azepan-1-ium-1-yl)-2-(3-hydroxyphenyl)acetonitrile Traditional Name: (2R)-2-(azepan-1-ium-1-yl)-2-(3-hydroxyphenyl)acetonitrile Formula: C14H19N2O+ MolecularWeight: 231.31346

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(C#N)C2=CC(=CC=C2)O

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H](C#N)C2=CC(=CC=C2)O

InChI

InChI=1S/C14H18N2O/c15-11-14(12-6-5-7-13(17)10-12)16-8-3-1-2-4-9-16/h5-7,10,14,17H,1-4,8-9H2/p+1/t14-/m0/s1