(5R)-1-[(4-fluorophenyl)methyl]-5-(4-methylpiperidin-1-ium-1-yl)azepan-2-one

Systemtic Name: (5R)-1-[(4-fluorophenyl)methyl]-5-(4-methylpiperidin-1-ium-1-yl)azepan-2-one Openeye Name: (5R)-1-[(4-fluorophenyl)methyl]-5-(4-methylpiperidin-1-ium-1-yl)azepan-2-one CAS Name: (5R)-1-[(4-fluorophenyl)methyl]-5-(4-methyl-1-piperidin-1-iumyl)-2-azepanone IUPAC Name: (5R)-1-[(4-fluorophenyl)methyl]-5-(4-methylpiperidin-1-ium-1-yl)azepan-2-one Traditional Name: (5R)-1-(4-fluorobenzyl)-5-(4-methylpiperidin-1-ium-1-yl)azepan-2-one Formula: C19H28FN2O+ MolecularWeight: 319.436823

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C2CCC(=O)N(CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1CC[NH+](CC1)[C@@H]2CCC(=O)N(CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C19H27FN2O/c1-15-8-11-21(12-9-15)18-6-7-19(23)22(13-10-18)14-16-2-4-17(20)5-3-16/h2-5,15,18H,6-14H2,1H3/p+1/t18-/m1/s1