4-[(3-fluorophenyl)methyl]-1-[(2R)-1-pyridin-3-ylpropan-2-yl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-[(3-fluorophenyl)methyl]-1-[(2R)-1-pyridin-3-ylpropan-2-yl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-[(3-fluorophenyl)methyl]-1-[(1R)-1-methyl-2-(3-pyridyl)ethyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-[(3-fluorophenyl)methyl]-1-[(2R)-1-(3-pyridinyl)propan-2-yl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-[(3-fluorophenyl)methyl]-1-[(2R)-1-pyridin-3-ylpropan-2-yl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-(3-fluorobenzyl)-1-[(1R)-1-methyl-2-(3-pyridyl)ethyl]-1,4-diazepan-1-ium-5-one Formula: C20H25FN3O+ MolecularWeight: 342.430403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CN=CC=C1)[NH+]2CCC(=O)N(CC2)CC3=CC(=CC=C3)F

Isomeric SMILES

C[C@H](CC1=CN=CC=C1)[NH+]2CCC(=O)N(CC2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C20H24FN3O/c1-16(12-17-5-3-8-22-14-17)23-9-7-20(25)24(11-10-23)15-18-4-2-6-19(21)13-18/h2-6,8,13-14,16H,7,9-12,15H2,1H3/p+1/t16-/m1/s1