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

Systemtic Name: (2S)-1-methyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-methyl-N-(4-thiazol-4-ylphenyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-methyl-N-[4-(4-thiazolyl)phenyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-methyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-methyl-N-(4-thiazol-4-ylphenyl)pyrrolidin-1-ium-2-carboxamide Formula: C15H18N3OS+ MolecularWeight: 288.38792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3OS/c1-18-8-2-3-14(18)15(19)17-12-6-4-11(5-7-12)13-9-20-10-16-13/h4-7,9-10,14H,2-3,8H2,1H3,(H,17,19)/p+1/t14-/m0/s1