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

Systemtic Name: 2-cyanoethyl-[(2R)-3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]-(2-methylpropyl)azanium Openeye Name: [(2R)-3-(4-acetylphenoxy)-2-hydroxy-propyl]-(2-cyanoethyl)-isobutyl-ammonium CAS Name: [(2R)-3-(4-acetylphenoxy)-2-hydroxypropyl]-(2-cyanoethyl)-(2-methylpropyl)ammonium IUPAC Name: [(2R)-3-(4-acetylphenoxy)-2-hydroxypropyl]-(2-cyanoethyl)-(2-methylpropyl)azanium Traditional Name: [(2R)-3-(4-acetylphenoxy)-2-hydroxy-propyl]-(2-cyanoethyl)-isobutyl-ammonium Formula: C18H27N2O3+ MolecularWeight: 319.41858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O3/c1-14(2)11-20(10-4-9-19)12-17(22)13-23-18-7-5-16(6-8-18)15(3)21/h5-8,14,17,22H,4,10-13H2,1-3H3/p+1/t17-/m1/s1