1,4-dithiepan-6-yl-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxidanylidene-pyrrolidin-3-yl]azanium

Systemtic Name: 1,4-dithiepan-6-yl-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxidanylidene-pyrrolidin-3-yl]azanium Openeye Name: 1,4-dithiepan-6-yl-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxo-pyrrolidin-3-yl]ammonium CAS Name: 1,4-dithiepan-6-yl-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxo-3-pyrrolidinyl]ammonium IUPAC Name: 1,4-dithiepan-6-yl-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]azanium Traditional Name: 1,4-dithiepan-6-yl-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-keto-pyrrolidin-3-yl]ammonium Formula: C17H24FN2OS2+ MolecularWeight: 355.513663

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC(CS1)[NH2+]C2CC(=O)N(C2)CCC3=CC=C(C=C3)F

Isomeric SMILES

C1CSCC(CS1)[NH2+][C@@H]2CC(=O)N(C2)CCC3=CC=C(C=C3)F

InChI

InChI=1S/C17H23FN2OS2/c18-14-3-1-13(2-4-14)5-6-20-10-15(9-17(20)21)19-16-11-22-7-8-23-12-16/h1-4,15-16,19H,5-12H2/p+1/t15-/m1/s1