(2R)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-2-phenyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: (2R)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-2-phenyl-1-pyrrolidin-1-yl-ethanone Openeye Name: (2R)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-2-phenyl-1-pyrrolidin-1-yl-ethanone CAS Name: (2R)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-2-phenyl-1-(1-pyrrolidinyl)ethanone IUPAC Name: (2R)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone Traditional Name: (2R)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-2-phenyl-1-pyrrolidino-ethanone Formula: C23H29FN3O3S+ MolecularWeight: 446.558063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(C2=CC=CC=C2)[NH+]3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C1)C(=O)[C@@H](C2=CC=CC=C2)[NH+]3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H28FN3O3S/c24-20-9-11-21(12-10-20)31(29,30)27-16-6-15-25(17-18-27)22(19-7-2-1-3-8-19)23(28)26-13-4-5-14-26/h1-3,7-12,22H,4-6,13-18H2/p+1/t22-/m1/s1