(4-cyano-2-fluoranyl-phenyl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-methyl-azanium

Systemtic Name: (4-cyano-2-fluoranyl-phenyl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-methyl-azanium Openeye Name: (4-cyano-2-fluoro-phenyl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-methyl-ammonium CAS Name: (4-cyano-2-fluorophenyl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-methylammonium IUPAC Name: (4-cyano-2-fluorophenyl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-methylazanium Traditional Name: (4-cyano-2-fluoro-benzyl)-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-methyl-ammonium Formula: C18H18FN2O2+ MolecularWeight: 313.346123

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1COC2=CC=CC=C2O1)CC3=C(C=C(C=C3)C#N)F

Isomeric SMILES

C[NH+](C[C@H]1COC2=CC=CC=C2O1)CC3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C18H17FN2O2/c1-21(10-14-7-6-13(9-20)8-16(14)19)11-15-12-22-17-4-2-3-5-18(17)23-15/h2-8,15H,10-12H2,1H3/p+1/t15-/m0/s1