(4-cyanophenyl)methyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]-methyl-azanium

Systemtic Name: (4-cyanophenyl)methyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]-methyl-azanium Openeye Name: (4-cyanophenyl)methyl-[(3-fluoro-4-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: (4-cyanophenyl)methyl-[(3-fluoro-4-methoxyphenyl)methyl]-methylammonium IUPAC Name: (4-cyanophenyl)methyl-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium Traditional Name: (4-cyanobenzyl)-(3-fluoro-4-methoxy-benzyl)-methyl-ammonium Formula: C17H18FN2O+ MolecularWeight: 285.336023

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)C#N)CC2=CC(=C(C=C2)OC)F

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)C#N)CC2=CC(=C(C=C2)OC)F

InChI

InChI=1S/C17H17FN2O/c1-20(11-14-5-3-13(10-19)4-6-14)12-15-7-8-17(21-2)16(18)9-15/h3-9H,11-12H2,1-2H3/p+1