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

Systemtic Name: 2-cyanoethyl-[(2R)-3-(4-ethanoyl-2-methoxy-phenoxy)-2-oxidanyl-propyl]-(2-methylpropyl)azanium Openeye Name: [(2R)-3-(4-acetyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-(2-cyanoethyl)-isobutyl-ammonium CAS Name: [(2R)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-(2-cyanoethyl)-(2-methylpropyl)ammonium IUPAC Name: [(2R)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-(2-cyanoethyl)-(2-methylpropyl)azanium Traditional Name: [(2R)-3-(4-acetyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-(2-cyanoethyl)-isobutyl-ammonium Formula: C19H29N2O4+ MolecularWeight: 349.44456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O4/c1-14(2)11-21(9-5-8-20)12-17(23)13-25-18-7-6-16(15(3)22)10-19(18)24-4/h6-7,10,14,17,23H,5,9,11-13H2,1-4H3/p+1/t17-/m1/s1