(2R)-2-(4-bromophenyl)-2-piperidin-1-ium-1-yl-ethanenitrile

Systemtic Name: (2R)-2-(4-bromophenyl)-2-piperidin-1-ium-1-yl-ethanenitrile Openeye Name: (2R)-2-(4-bromophenyl)-2-piperidin-1-ium-1-yl-acetonitrile CAS Name: (2R)-2-(4-bromophenyl)-2-(1-piperidin-1-iumyl)acetonitrile IUPAC Name: (2R)-2-(4-bromophenyl)-2-piperidin-1-ium-1-ylacetonitrile Traditional Name: (2R)-2-(4-bromophenyl)-2-piperidin-1-ium-1-yl-acetonitrile Formula: C13H16BrN2+ MolecularWeight: 280.18354

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(C#N)C2=CC=C(C=C2)Br

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](C#N)C2=CC=C(C=C2)Br

InChI

InChI=1S/C13H15BrN2/c14-12-6-4-11(5-7-12)13(10-15)16-8-2-1-3-9-16/h4-7,13H,1-3,8-9H2/p+1/t13-/m0/s1