[(1S)-1-(3-fluoranyl-4-methoxy-phenyl)ethyl]-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [(1S)-1-(3-fluoranyl-4-methoxy-phenyl)ethyl]-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium Openeye Name: [(1S)-1-(3-fluoro-4-methoxy-phenyl)ethyl]-(1-isopropylpiperidin-1-ium-4-yl)ammonium CAS Name: [(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-(1-propan-2-yl-4-piperidin-1-iumyl)ammonium IUPAC Name: [(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium Traditional Name: [(1S)-1-(3-fluoro-4-methoxy-phenyl)ethyl]-(1-isopropylpiperidin-1-ium-4-yl)ammonium Formula: C17H29FN2O+2 MolecularWeight: 296.423363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)[NH2+]C(C)C2=CC(=C(C=C2)OC)F

Isomeric SMILES

C[C@@H](C1=CC(=C(C=C1)OC)F)[NH2+]C2CC[NH+](CC2)C(C)C

InChI

InChI=1S/C17H27FN2O/c1-12(2)20-9-7-15(8-10-20)19-13(3)14-5-6-17(21-4)16(18)11-14/h5-6,11-13,15,19H,7-10H2,1-4H3/p+2/t13-/m0/s1