[1-[(2S)-2-(4-fluoranyl-3-methyl-phenyl)-2-oxidanyl-ethyl]piperidin-1-ium-4-yl]azanium

Systemtic Name: [1-[(2S)-2-(4-fluoranyl-3-methyl-phenyl)-2-oxidanyl-ethyl]piperidin-1-ium-4-yl]azanium Openeye Name: [1-[(2S)-2-(4-fluoro-3-methyl-phenyl)-2-hydroxy-ethyl]piperidin-1-ium-4-yl]ammonium CAS Name: [1-[(2S)-2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]-4-piperidin-1-iumyl]ammonium IUPAC Name: [1-[(2S)-2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]piperidin-1-ium-4-yl]azanium Traditional Name: [1-[(2S)-2-(4-fluoro-3-methyl-phenyl)-2-hydroxy-ethyl]piperidin-1-ium-4-yl]ammonium Formula: C14H23FN2O+2 MolecularWeight: 254.343623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C[NH+]2CCC(CC2)[NH3+])O)F

Isomeric SMILES

CC1=C(C=CC(=C1)[C@@H](C[NH+]2CCC(CC2)[NH3+])O)F

InChI

InChI=1S/C14H21FN2O/c1-10-8-11(2-3-13(10)15)14(18)9-17-6-4-12(16)5-7-17/h2-3,8,12,14,18H,4-7,9,16H2,1H3/p+2/t14-/m1/s1