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

Systemtic Name: (2R)-2-(4-oxidanylpiperidin-1-ium-1-yl)-2-(4-propan-2-yloxyphenyl)ethanenitrile Openeye Name: (2R)-2-(4-hydroxypiperidin-1-ium-1-yl)-2-(4-isopropoxyphenyl)acetonitrile CAS Name: (2R)-2-(4-hydroxy-1-piperidin-1-iumyl)-2-(4-propan-2-yloxyphenyl)acetonitrile IUPAC Name: (2R)-2-(4-hydroxypiperidin-1-ium-1-yl)-2-(4-propan-2-yloxyphenyl)acetonitrile Traditional Name: (2R)-2-(4-hydroxypiperidin-1-ium-1-yl)-2-(4-isopropoxyphenyl)acetonitrile Formula: C16H23N2O2+ MolecularWeight: 275.36602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(C#N)[NH+]2CCC(CC2)O

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)[C@H](C#N)[NH+]2CCC(CC2)O

InChI

InChI=1S/C16H22N2O2/c1-12(2)20-15-5-3-13(4-6-15)16(11-17)18-9-7-14(19)8-10-18/h3-6,12,14,16,19H,7-10H2,1-2H3/p+1/t16-/m0/s1