[3-fluoranyl-4-(3-pyridin-4-ylpropoxymethyl)phenyl]methylazanium

Systemtic Name: [3-fluoranyl-4-(3-pyridin-4-ylpropoxymethyl)phenyl]methylazanium Openeye Name: [3-fluoro-4-[3-(4-pyridyl)propoxymethyl]phenyl]methylammonium CAS Name: [3-fluoro-4-(3-pyridin-4-ylpropoxymethyl)phenyl]methylammonium IUPAC Name: [3-fluoro-4-(3-pyridin-4-ylpropoxymethyl)phenyl]methylazanium Traditional Name: [3-fluoro-4-[3-(4-pyridyl)propoxymethyl]benzyl]ammonium Formula: C16H20FN2O+ MolecularWeight: 275.341203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C[NH3+])F)COCCCC2=CC=NC=C2

Isomeric SMILES

C1=CC(=C(C=C1C[NH3+])F)COCCCC2=CC=NC=C2

InChI

InChI=1S/C16H19FN2O/c17-16-10-14(11-18)3-4-15(16)12-20-9-1-2-13-5-7-19-8-6-13/h3-8,10H,1-2,9,11-12,18H2/p+1