[(2S)-3-[4-(cyanomethyl)phenoxy]-2-oxidanyl-propyl]-bis(furan-2-ylmethyl)azanium

Systemtic Name: [(2S)-3-[4-(cyanomethyl)phenoxy]-2-oxidanyl-propyl]-bis(furan-2-ylmethyl)azanium Openeye Name: [(2S)-3-[4-(cyanomethyl)phenoxy]-2-hydroxy-propyl]-bis(2-furylmethyl)ammonium CAS Name: [(2S)-3-[4-(cyanomethyl)phenoxy]-2-hydroxypropyl]-bis(2-furanylmethyl)ammonium IUPAC Name: [(2S)-3-[4-(cyanomethyl)phenoxy]-2-hydroxypropyl]-bis(furan-2-ylmethyl)azanium Traditional Name: [(2S)-3-[4-(cyanomethyl)phenoxy]-2-hydroxy-propyl]-bis(2-furfuryl)ammonium Formula: C21H23N2O4+ MolecularWeight: 367.41832

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C[NH+](CC2=CC=CO2)CC(COC3=CC=C(C=C3)CC#N)O

Isomeric SMILES

C1=COC(=C1)C[NH+](CC2=CC=CO2)C[C@@H](COC3=CC=C(C=C3)CC#N)O

InChI

InChI=1S/C21H22N2O4/c22-10-9-17-5-7-19(8-6-17)27-16-18(24)13-23(14-20-3-1-11-25-20)15-21-4-2-12-26-21/h1-8,11-12,18,24H,9,13-16H2/p+1/t18-/m0/s1