[1-[(4R)-4-(4-fluoranyl-3-methyl-phenyl)-4-oxidanyl-butyl]piperidin-1-ium-4-yl]azanium

Systemtic Name: [1-[(4R)-4-(4-fluoranyl-3-methyl-phenyl)-4-oxidanyl-butyl]piperidin-1-ium-4-yl]azanium Openeye Name: [1-[(4R)-4-(4-fluoro-3-methyl-phenyl)-4-hydroxy-butyl]piperidin-1-ium-4-yl]ammonium CAS Name: [1-[(4R)-4-(4-fluoro-3-methylphenyl)-4-hydroxybutyl]-4-piperidin-1-iumyl]ammonium IUPAC Name: [1-[(4R)-4-(4-fluoro-3-methylphenyl)-4-hydroxybutyl]piperidin-1-ium-4-yl]azanium Traditional Name: [1-[(4R)-4-(4-fluoro-3-methyl-phenyl)-4-hydroxy-butyl]piperidin-1-ium-4-yl]ammonium Formula: C16H27FN2O+2 MolecularWeight: 282.396783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25FN2O/c1-12-11-13(4-5-15(12)17)16(20)3-2-8-19-9-6-14(18)7-10-19/h4-5,11,14,16,20H,2-3,6-10,18H2,1H3/p+2/t16-/m1/s1