[(1S)-1-(3-fluoranyl-4-propan-2-yloxy-phenyl)ethyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: [(1S)-1-(3-fluoranyl-4-propan-2-yloxy-phenyl)ethyl]-(pyridin-3-ylmethyl)azanium Openeye Name: [(1S)-1-(3-fluoro-4-isopropoxy-phenyl)ethyl]-(3-pyridylmethyl)ammonium CAS Name: [(1S)-1-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]-(3-pyridinylmethyl)ammonium IUPAC Name: [(1S)-1-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]-(pyridin-3-ylmethyl)azanium Traditional Name: [(1S)-1-(3-fluoro-4-isopropoxy-phenyl)ethyl]-(3-pyridylmethyl)ammonium Formula: C17H22FN2O+ MolecularWeight: 289.367783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(C)[NH2+]CC2=CN=CC=C2)F

Isomeric SMILES

C[C@@H](C1=CC(=C(C=C1)OC(C)C)F)[NH2+]CC2=CN=CC=C2

InChI

InChI=1S/C17H21FN2O/c1-12(2)21-17-7-6-15(9-16(17)18)13(3)20-11-14-5-4-8-19-10-14/h4-10,12-13,20H,11H2,1-3H3/p+1/t13-/m0/s1