(2S)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-1-ium-2-carboxamide Formula: C14H17N4O2S+ MolecularWeight: 305.37538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3CCC[NH2+]3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)[C@@H]3CCC[NH2+]3

InChI

InChI=1S/C14H16N4O2S/c1-20-10-6-4-9(5-7-10)13-17-18-14(21-13)16-12(19)11-3-2-8-15-11/h4-7,11,15H,2-3,8H2,1H3,(H,16,18,19)/p+1/t11-/m0/s1