1-(2-adamantyl)-4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-(2-adamantyl)-4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 1-(2-adamantyl)-4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 1-(2-adamantyl)-4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 1-(2-adamantyl)-4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 1-(2-adamantyl)-4-(4-fluorobenzyl)-1,4-diazepan-1-ium-5-one Formula: C22H30FN2O+ MolecularWeight: 357.484803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1=O)CC2=CC=C(C=C2)F)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

C1C[NH+](CCN(C1=O)CC2=CC=C(C=C2)F)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C22H29FN2O/c23-20-3-1-15(2-4-20)14-25-8-7-24(6-5-21(25)26)22-18-10-16-9-17(12-18)13-19(22)11-16/h1-4,16-19,22H,5-14H2/p+1