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

Systemtic Name: [(4S)-4-(4-fluoranyl-3-methyl-phenyl)-4-piperidin-1-ium-1-yl-butyl]azanium Openeye Name: [(4S)-4-(4-fluoro-3-methyl-phenyl)-4-piperidin-1-ium-1-yl-butyl]ammonium CAS Name: [(4S)-4-(4-fluoro-3-methylphenyl)-4-(1-piperidin-1-iumyl)butyl]ammonium IUPAC Name: [(4S)-4-(4-fluoro-3-methylphenyl)-4-piperidin-1-ium-1-ylbutyl]azanium Traditional Name: [(4S)-4-(4-fluoro-3-methyl-phenyl)-4-piperidin-1-ium-1-yl-butyl]ammonium Formula: C16H27FN2+2 MolecularWeight: 266.397383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(CCC[NH3+])[NH+]2CCCCC2)F

Isomeric SMILES

CC1=C(C=CC(=C1)[C@H](CCC[NH3+])[NH+]2CCCCC2)F

InChI

InChI=1S/C16H25FN2/c1-13-12-14(7-8-15(13)17)16(6-5-9-18)19-10-3-2-4-11-19/h7-8,12,16H,2-6,9-11,18H2,1H3/p+2/t16-/m0/s1