2-cyanoethyl-[(2R)-3-(4-cyanophenoxy)-2-oxidanyl-propyl]-(2-methylpropyl)azanium

Systemtic Name: 2-cyanoethyl-[(2R)-3-(4-cyanophenoxy)-2-oxidanyl-propyl]-(2-methylpropyl)azanium Openeye Name: 2-cyanoethyl-[(2R)-3-(4-cyanophenoxy)-2-hydroxy-propyl]-isobutyl-ammonium CAS Name: 2-cyanoethyl-[(2R)-3-(4-cyanophenoxy)-2-hydroxypropyl]-(2-methylpropyl)ammonium IUPAC Name: 2-cyanoethyl-[(2R)-3-(4-cyanophenoxy)-2-hydroxypropyl]-(2-methylpropyl)azanium Traditional Name: 2-cyanoethyl-[(2R)-3-(4-cyanophenoxy)-2-hydroxy-propyl]-isobutyl-ammonium Formula: C17H24N3O2+ MolecularWeight: 302.39136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](CCC#N)CC(COC1=CC=C(C=C1)C#N)O

Isomeric SMILES

CC(C)C[NH+](CCC#N)C[C@H](COC1=CC=C(C=C1)C#N)O

InChI

InChI=1S/C17H23N3O2/c1-14(2)11-20(9-3-8-18)12-16(21)13-22-17-6-4-15(10-19)5-7-17/h4-7,14,16,21H,3,9,11-13H2,1-2H3/p+1/t16-/m1/s1