(3S,4S)-1-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-4-morpholin-4-yl-pyrrolidin-1-ium-3-ol

Systemtic Name: (3S,4S)-1-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-4-morpholin-4-yl-pyrrolidin-1-ium-3-ol Openeye Name: (3S,4S)-1-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-4-morpholino-pyrrolidin-1-ium-3-ol CAS Name: (3S,4S)-1-[[2-(ethylthio)-5-pyrimidinyl]methyl]-4-(4-morpholinyl)-3-pyrrolidin-1-iumol IUPAC Name: (3S,4S)-1-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-4-morpholin-4-ylpyrrolidin-1-ium-3-ol Traditional Name: (3S,4S)-1-[[2-(ethylthio)pyrimidin-5-yl]methyl]-4-morpholino-pyrrolidin-1-ium-3-ol Formula: C15H25N4O2S+ MolecularWeight: 325.4496

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C=N1)C[NH+]2CC(C(C2)O)N3CCOCC3

Isomeric SMILES

CCSC1=NC=C(C=N1)C[NH+]2C[C@@H]([C@H](C2)O)N3CCOCC3

InChI

InChI=1S/C15H24N4O2S/c1-2-22-15-16-7-12(8-17-15)9-18-10-13(14(20)11-18)19-3-5-21-6-4-19/h7-8,13-14,20H,2-6,9-11H2,1H3/p+1/t13-,14-/m0/s1