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

Systemtic Name: (2S)-1-propyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-propyl-N-(4-thiazol-4-ylphenyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-propyl-N-[4-(4-thiazolyl)phenyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-propyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-propyl-N-(4-thiazol-4-ylphenyl)pyrrolidin-1-ium-2-carboxamide Formula: C17H22N3OS+ MolecularWeight: 316.44108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3OS/c1-2-9-20-10-3-4-16(20)17(21)19-14-7-5-13(6-8-14)15-11-22-12-18-15/h5-8,11-12,16H,2-4,9-10H2,1H3,(H,19,21)/p+1/t16-/m0/s1