(2R,3R)-3-oxidanyl-3-pyridin-4-yl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)propanenitrile

Systemtic Name: (2R,3R)-3-oxidanyl-3-pyridin-4-yl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)propanenitrile Openeye Name: (2R,3R)-3-hydroxy-3-(4-pyridyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)propanenitrile CAS Name: (2R,3R)-3-hydroxy-3-pyridin-4-yl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)propanenitrile IUPAC Name: (2R,3R)-3-hydroxy-3-pyridin-4-yl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)propanenitrile Traditional Name: (2R,3R)-3-hydroxy-3-(4-pyridyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)propionitrile Formula: C18H20N3O+ MolecularWeight: 294.3709

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC(C#N)C(C3=CC=NC=C3)O

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)C[C@H](C#N)[C@H](C3=CC=NC=C3)O

InChI

InChI=1S/C18H19N3O/c19-11-17(18(22)15-5-8-20-9-6-15)13-21-10-7-14-3-1-2-4-16(14)12-21/h1-6,8-9,17-18,22H,7,10,12-13H2/p+1/t17-,18-/m0/s1