(2S,4S)-N-phenethyl-N-(phenylmethyl)-4-pyrimidin-2-ylsulfanyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4S)-N-phenethyl-N-(phenylmethyl)-4-pyrimidin-2-ylsulfanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4S)-N-benzyl-N-phenethyl-4-pyrimidin-2-ylsulfanyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4S)-N-phenethyl-N-(phenylmethyl)-4-(2-pyrimidinylthio)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4S)-N-benzyl-N-phenethyl-4-pyrimidin-2-ylsulfanylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4S)-N-benzyl-N-phenethyl-4-(2-pyrimidylthio)pyrrolidin-1-ium-2-carboxamide Formula: C24H27N4OS+ MolecularWeight: 419.56238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C[NH2+]C1C(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3)SC4=NC=CC=N4

Isomeric SMILES

C1[C@@H](C[NH2+][C@@H]1C(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3)SC4=NC=CC=N4

InChI

InChI=1S/C24H26N4OS/c29-23(22-16-21(17-27-22)30-24-25-13-7-14-26-24)28(18-20-10-5-2-6-11-20)15-12-19-8-3-1-4-9-19/h1-11,13-14,21-22,27H,12,15-18H2/p+1/t21-,22-/m0/s1