(2S,3S)-3-(4-bromophenyl)-2-(4-fluorophenyl)-6-methyl-1-piperidin-1-ium-1-yl-heptan-3-ol

Systemtic Name: (2S,3S)-3-(4-bromophenyl)-2-(4-fluorophenyl)-6-methyl-1-piperidin-1-ium-1-yl-heptan-3-ol Openeye Name: (2S,3S)-3-(4-bromophenyl)-2-(4-fluorophenyl)-6-methyl-1-piperidin-1-ium-1-yl-heptan-3-ol CAS Name: (2S,3S)-3-(4-bromophenyl)-2-(4-fluorophenyl)-6-methyl-1-(1-piperidin-1-iumyl)-3-heptanol IUPAC Name: (2S,3S)-3-(4-bromophenyl)-2-(4-fluorophenyl)-6-methyl-1-piperidin-1-ium-1-ylheptan-3-ol Traditional Name: (2S,3S)-3-(4-bromophenyl)-2-(4-fluorophenyl)-6-methyl-1-piperidin-1-ium-1-yl-heptan-3-ol Formula: C25H34BrFNO+ MolecularWeight: 463.445963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C1=CC=C(C=C1)Br)(C(C[NH+]2CCCCC2)C3=CC=C(C=C3)F)O

Isomeric SMILES

CC(C)CC[C@@](C1=CC=C(C=C1)Br)([C@H](C[NH+]2CCCCC2)C3=CC=C(C=C3)F)O

InChI

InChI=1S/C25H33BrFNO/c1-19(2)14-15-25(29,21-8-10-22(26)11-9-21)24(18-28-16-4-3-5-17-28)20-6-12-23(27)13-7-20/h6-13,19,24,29H,3-5,14-18H2,1-2H3/p+1/t24-,25-/m1/s1