(2-fluorophenyl)methyl-[(3S,4S)-3-phenyl-1-(phenylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: (2-fluorophenyl)methyl-[(3S,4S)-3-phenyl-1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: [(3S,4S)-1-benzyl-3-phenyl-piperidin-1-ium-4-yl]-[(2-fluorophenyl)methyl]ammonium CAS Name: (2-fluorophenyl)methyl-[(3S,4S)-3-phenyl-1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: [(3S,4S)-1-benzyl-3-phenylpiperidin-1-ium-4-yl]-[(2-fluorophenyl)methyl]azanium Traditional Name: [(3S,4S)-1-benzyl-3-phenyl-piperidin-1-ium-4-yl]-(2-fluorobenzyl)ammonium Formula: C25H29FN2+2 MolecularWeight: 376.509563

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(C1[NH2+]CC2=CC=CC=C2F)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@@H]([C@H]1[NH2+]CC2=CC=CC=C2F)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H27FN2/c26-24-14-8-7-13-22(24)17-27-25-15-16-28(18-20-9-3-1-4-10-20)19-23(25)21-11-5-2-6-12-21/h1-14,23,25,27H,15-19H2/p+2/t23-,25+/m1/s1