(5R)-1-[2-(4-fluoranylphenoxy)ethyl]-5-(4-methylpiperidin-1-ium-1-yl)azepan-2-one

Systemtic Name: (5R)-1-[2-(4-fluoranylphenoxy)ethyl]-5-(4-methylpiperidin-1-ium-1-yl)azepan-2-one Openeye Name: (5R)-1-[2-(4-fluorophenoxy)ethyl]-5-(4-methylpiperidin-1-ium-1-yl)azepan-2-one CAS Name: (5R)-1-[2-(4-fluorophenoxy)ethyl]-5-(4-methyl-1-piperidin-1-iumyl)-2-azepanone IUPAC Name: (5R)-1-[2-(4-fluorophenoxy)ethyl]-5-(4-methylpiperidin-1-ium-1-yl)azepan-2-one Traditional Name: (5R)-1-[2-(4-fluorophenoxy)ethyl]-5-(4-methylpiperidin-1-ium-1-yl)azepan-2-one Formula: C20H30FN2O2+ MolecularWeight: 349.462803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C2CCC(=O)N(CC2)CCOC3=CC=C(C=C3)F

Isomeric SMILES

CC1CC[NH+](CC1)[C@@H]2CCC(=O)N(CC2)CCOC3=CC=C(C=C3)F

InChI

InChI=1S/C20H29FN2O2/c1-16-8-11-22(12-9-16)18-4-7-20(24)23(13-10-18)14-15-25-19-5-2-17(21)3-6-19/h2-3,5-6,16,18H,4,7-15H2,1H3/p+1/t18-/m1/s1