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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(C#N)[NH+]2CCCCC2

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@H](C#N)[NH+]2CCCCC2

InChI

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