(2S)-1-(3-methylsulfanylpropyl)-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-(3-methylsulfanylpropyl)-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-(3-methylsulfanylpropyl)-N-(4-thiazol-4-ylphenyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-[3-(methylthio)propyl]-N-[4-(4-thiazolyl)phenyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-(3-methylsulfanylpropyl)-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[3-(methylthio)propyl]-N-(4-thiazol-4-ylphenyl)pyrrolidin-1-ium-2-carboxamide Formula: C18H24N3OS2+ MolecularWeight: 362.53266

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC[NH+]1CCCC1C(=O)NC2=CC=C(C=C2)C3=CSC=N3

Isomeric SMILES

CSCCC[NH+]1CCC[C@H]1C(=O)NC2=CC=C(C=C2)C3=CSC=N3

InChI

InChI=1S/C18H23N3OS2/c1-23-11-3-10-21-9-2-4-17(21)18(22)20-15-7-5-14(6-8-15)16-12-24-13-19-16/h5-8,12-13,17H,2-4,9-11H2,1H3,(H,20,22)/p+1/t17-/m0/s1