2-[[(2R)-3-(4-cyanophenoxy)-2-oxidanyl-propyl]azaniumyl]ethyl-diethyl-azanium

Systemtic Name: 2-[[(2R)-3-(4-cyanophenoxy)-2-oxidanyl-propyl]azaniumyl]ethyl-diethyl-azanium Openeye Name: 2-[[(2R)-3-(4-cyanophenoxy)-2-hydroxy-propyl]ammonio]ethyl-diethyl-ammonium CAS Name: 2-[[(2R)-3-(4-cyanophenoxy)-2-hydroxypropyl]ammonio]ethyl-diethylammonium IUPAC Name: 2-[[(2R)-3-(4-cyanophenoxy)-2-hydroxypropyl]azaniumyl]ethyl-diethylazanium Traditional Name: 2-[[(2R)-3-(4-cyanophenoxy)-2-hydroxy-propyl]ammonio]ethyl-diethyl-ammonium Formula: C16H27N3O2+2 MolecularWeight: 293.40448

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC[NH2+]CC(COC1=CC=C(C=C1)C#N)O

Isomeric SMILES

CC[NH+](CC)CC[NH2+]C[C@H](COC1=CC=C(C=C1)C#N)O

InChI

InChI=1S/C16H25N3O2/c1-3-19(4-2)10-9-18-12-15(20)13-21-16-7-5-14(11-17)6-8-16/h5-8,15,18,20H,3-4,9-10,12-13H2,1-2H3/p+2/t15-/m1/s1