4-(4-cyclobutyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl)-1-(2-fluorophenyl)piperidin-4-ol

Systemtic Name: 4-(4-cyclobutyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl)-1-(2-fluorophenyl)piperidin-4-ol Openeye Name: 4-(4-cyclobutyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl)-1-(2-fluorophenyl)piperidin-4-ol CAS Name: 4-(4-cyclobutyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl)-1-(2-fluorophenyl)-4-piperidinol IUPAC Name: 4-(4-cyclobutyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl)-1-(2-fluorophenyl)piperidin-4-ol Traditional Name: 4-(4-cyclobutyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl)-1-(2-fluorophenyl)piperidin-4-ol Formula: C24H30FN2O2+ MolecularWeight: 397.505603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)[NH+]2CCOC3=C(C2)C=C(C=C3)C4(CCN(CC4)C5=CC=CC=C5F)O

Isomeric SMILES

C1CC(C1)[NH+]2CCOC3=C(C2)C=C(C=C3)C4(CCN(CC4)C5=CC=CC=C5F)O

InChI

InChI=1S/C24H29FN2O2/c25-21-6-1-2-7-22(21)26-12-10-24(28,11-13-26)19-8-9-23-18(16-19)17-27(14-15-29-23)20-4-3-5-20/h1-2,6-9,16,20,28H,3-5,10-15,17H2/p+1