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

Systemtic Name: (5R)-1-[(2-fluorophenyl)methyl]-5-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)azepan-2-one Openeye Name: (5R)-1-[(2-fluorophenyl)methyl]-5-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]azepan-2-one CAS Name: (5R)-1-[(2-fluorophenyl)methyl]-5-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]-2-azepanone IUPAC Name: (5R)-1-[(2-fluorophenyl)methyl]-5-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]azepan-2-one Traditional Name: (5R)-1-(2-fluorobenzyl)-5-[4-(2-thenoyl)piperazin-1-ium-1-yl]azepan-2-one Formula: C22H27FN3O2S+ MolecularWeight: 416.532083

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CCC1[NH+]2CCN(CC2)C(=O)C3=CC=CS3)CC4=CC=CC=C4F

Isomeric SMILES

C1CC(=O)N(CC[C@@H]1[NH+]2CCN(CC2)C(=O)C3=CC=CS3)CC4=CC=CC=C4F

InChI

InChI=1S/C22H26FN3O2S/c23-19-5-2-1-4-17(19)16-26-10-9-18(7-8-21(26)27)24-11-13-25(14-12-24)22(28)20-6-3-15-29-20/h1-6,15,18H,7-14,16H2/p+1/t18-/m1/s1