(2S,4R)-N-(1-benzothiophen-2-ylmethyl)-1-[(3-fluorophenyl)methyl]-N-methyl-4-pyrimidin-2-ylsulfanyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-N-(1-benzothiophen-2-ylmethyl)-1-[(3-fluorophenyl)methyl]-N-methyl-4-pyrimidin-2-ylsulfanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-N-(benzothiophen-2-ylmethyl)-1-[(3-fluorophenyl)methyl]-N-methyl-4-pyrimidin-2-ylsulfanyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-N-(1-benzothiophen-2-ylmethyl)-1-[(3-fluorophenyl)methyl]-N-methyl-4-(2-pyrimidinylthio)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-N-(1-benzothiophen-2-ylmethyl)-1-[(3-fluorophenyl)methyl]-N-methyl-4-pyrimidin-2-ylsulfanylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-N-(benzothiophen-2-ylmethyl)-1-(3-fluorobenzyl)-N-methyl-4-(2-pyrimidylthio)pyrrolidin-1-ium-2-carboxamide Formula: C26H26FN4OS2+ MolecularWeight: 493.639243

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=CC=CC=C2S1)C(=O)C3CC(C[NH+]3CC4=CC(=CC=C4)F)SC5=NC=CC=N5

Isomeric SMILES

CN(CC1=CC2=CC=CC=C2S1)C(=O)[C@@H]3C[C@H](C[NH+]3CC4=CC(=CC=C4)F)SC5=NC=CC=N5

InChI

InChI=1S/C26H25FN4OS2/c1-30(16-21-13-19-7-2-3-9-24(19)33-21)25(32)23-14-22(34-26-28-10-5-11-29-26)17-31(23)15-18-6-4-8-20(27)12-18/h2-13,22-23H,14-17H2,1H3/p+1/t22-,23+/m1/s1