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

Systemtic Name: 2-cyanoethyl-[(2R)-3-[4-(cyanomethyl)phenoxy]-2-oxidanyl-propyl]-(2-methylpropyl)azanium Openeye Name: 2-cyanoethyl-[(2R)-3-[4-(cyanomethyl)phenoxy]-2-hydroxy-propyl]-isobutyl-ammonium CAS Name: 2-cyanoethyl-[(2R)-3-[4-(cyanomethyl)phenoxy]-2-hydroxypropyl]-(2-methylpropyl)ammonium IUPAC Name: 2-cyanoethyl-[(2R)-3-[4-(cyanomethyl)phenoxy]-2-hydroxypropyl]-(2-methylpropyl)azanium Traditional Name: 2-cyanoethyl-[(2R)-3-[4-(cyanomethyl)phenoxy]-2-hydroxy-propyl]-isobutyl-ammonium Formula: C18H26N3O2+ MolecularWeight: 316.41794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O2/c1-15(2)12-21(11-3-9-19)13-17(22)14-23-18-6-4-16(5-7-18)8-10-20/h4-7,15,17,22H,3,8,11-14H2,1-2H3/p+1/t17-/m1/s1