(2-ethylsulfanylpyrimidin-5-yl)methyl-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxidanylidene-pyrrolidin-3-yl]azanium

Systemtic Name: (2-ethylsulfanylpyrimidin-5-yl)methyl-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxidanylidene-pyrrolidin-3-yl]azanium Openeye Name: (2-ethylsulfanylpyrimidin-5-yl)methyl-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxo-pyrrolidin-3-yl]ammonium CAS Name: [2-(ethylthio)-5-pyrimidinyl]methyl-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxo-3-pyrrolidinyl]ammonium IUPAC Name: (2-ethylsulfanylpyrimidin-5-yl)methyl-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]azanium Traditional Name: [2-(ethylthio)pyrimidin-5-yl]methyl-[(3R)-1-(4-fluorobenzyl)-5-keto-pyrrolidin-3-yl]ammonium Formula: C18H22FN4OS+ MolecularWeight: 361.456883

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C=N1)C[NH2+]C2CC(=O)N(C2)CC3=CC=C(C=C3)F

Isomeric SMILES

CCSC1=NC=C(C=N1)C[NH2+][C@@H]2CC(=O)N(C2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C18H21FN4OS/c1-2-25-18-21-9-14(10-22-18)8-20-16-7-17(24)23(12-16)11-13-3-5-15(19)6-4-13/h3-6,9-10,16,20H,2,7-8,11-12H2,1H3/p+1/t16-/m1/s1