[3-(2-cyanophenoxy)-2-oxidanyl-propyl]-[2-(4-methoxyphenyl)ethyl]-dimethyl-azanium

Systemtic Name: [3-(2-cyanophenoxy)-2-oxidanyl-propyl]-[2-(4-methoxyphenyl)ethyl]-dimethyl-azanium Openeye Name: [3-(2-cyanophenoxy)-2-hydroxy-propyl]-[2-(4-methoxyphenyl)ethyl]-dimethyl-ammonium CAS Name: [3-(2-cyanophenoxy)-2-hydroxypropyl]-[2-(4-methoxyphenyl)ethyl]-dimethylammonium IUPAC Name: [3-(2-cyanophenoxy)-2-hydroxypropyl]-[2-(4-methoxyphenyl)ethyl]-dimethylazanium Traditional Name: [3-(2-cyanophenoxy)-2-hydroxy-propyl]-[2-(4-methoxyphenyl)ethyl]-dimethyl-ammonium Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCC1=CC=C(C=C1)OC)CC(COC2=CC=CC=C2C#N)O

Isomeric SMILES

C[N+](C)(CCC1=CC=C(C=C1)OC)CC(COC2=CC=CC=C2C#N)O

InChI

InChI=1S/C21H27N2O3/c1-23(2,13-12-17-8-10-20(25-3)11-9-17)15-19(24)16-26-21-7-5-4-6-18(21)14-22/h4-11,19,24H,12-13,15-16H2,1-3H3/q+1