[(1R)-1-[4-(azepan-1-yl)-3-fluoranyl-phenyl]ethyl]-propan-2-yl-azanium

Systemtic Name: [(1R)-1-[4-(azepan-1-yl)-3-fluoranyl-phenyl]ethyl]-propan-2-yl-azanium Openeye Name: [(1R)-1-[4-(azepan-1-yl)-3-fluoro-phenyl]ethyl]-isopropyl-ammonium CAS Name: [(1R)-1-[4-(1-azepanyl)-3-fluorophenyl]ethyl]-propan-2-ylammonium IUPAC Name: [(1R)-1-[4-(azepan-1-yl)-3-fluorophenyl]ethyl]-propan-2-ylazanium Traditional Name: [(1R)-1-[4-(azepan-1-yl)-3-fluoro-phenyl]ethyl]-isopropyl-ammonium Formula: C17H28FN2+ MolecularWeight: 279.416023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]C(C)C1=CC(=C(C=C1)N2CCCCCC2)F

Isomeric SMILES

C[C@H](C1=CC(=C(C=C1)N2CCCCCC2)F)[NH2+]C(C)C

InChI

InChI=1S/C17H27FN2/c1-13(2)19-14(3)15-8-9-17(16(18)12-15)20-10-6-4-5-7-11-20/h8-9,12-14,19H,4-7,10-11H2,1-3H3/p+1/t14-/m1/s1