(2R)-2-piperidin-1-ium-1-yl-2-(4-propan-2-yloxyphenyl)ethanenitrile

Systemtic Name: (2R)-2-piperidin-1-ium-1-yl-2-(4-propan-2-yloxyphenyl)ethanenitrile Openeye Name: (2R)-2-(4-isopropoxyphenyl)-2-piperidin-1-ium-1-yl-acetonitrile CAS Name: (2R)-2-(1-piperidin-1-iumyl)-2-(4-propan-2-yloxyphenyl)acetonitrile IUPAC Name: (2R)-2-piperidin-1-ium-1-yl-2-(4-propan-2-yloxyphenyl)acetonitrile Traditional Name: (2R)-2-(4-isopropoxyphenyl)-2-piperidin-1-ium-1-yl-acetonitrile Formula: C16H23N2O+ MolecularWeight: 259.36662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(C#N)[NH+]2CCCCC2

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)[C@H](C#N)[NH+]2CCCCC2

InChI

InChI=1S/C16H22N2O/c1-13(2)19-15-8-6-14(7-9-15)16(12-17)18-10-4-3-5-11-18/h6-9,13,16H,3-5,10-11H2,1-2H3/p+1/t16-/m0/s1