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

Systemtic Name: 2-cyanoethyl-[(2R)-3-(3-methoxycarbonylphenoxy)-2-oxidanyl-propyl]-(2-methylpropyl)azanium Openeye Name: 2-cyanoethyl-[(2R)-2-hydroxy-3-(3-methoxycarbonylphenoxy)propyl]-isobutyl-ammonium CAS Name: 2-cyanoethyl-[(2R)-2-hydroxy-3-(3-methoxycarbonylphenoxy)propyl]-(2-methylpropyl)ammonium IUPAC Name: 2-cyanoethyl-[(2R)-2-hydroxy-3-(3-methoxycarbonylphenoxy)propyl]-(2-methylpropyl)azanium Traditional Name: [(2R)-3-(3-carbomethoxyphenoxy)-2-hydroxy-propyl]-(2-cyanoethyl)-isobutyl-ammonium Formula: C18H27N2O4+ MolecularWeight: 335.41798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O4/c1-14(2)11-20(9-5-8-19)12-16(21)13-24-17-7-4-6-15(10-17)18(22)23-3/h4,6-7,10,14,16,21H,5,9,11-13H2,1-3H3/p+1/t16-/m1/s1