N-(5-methyl-1H-1,2,4-triazol-3-yl)-5-[(2R)-1-(3-pyrazol-1-ylpropyl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide

Systemtic Name: N-(5-methyl-1H-1,2,4-triazol-3-yl)-5-[(2R)-1-(3-pyrazol-1-ylpropyl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Openeye Name: N-(5-methyl-1H-1,2,4-triazol-3-yl)-5-[(2R)-1-(3-pyrazol-1-ylpropyl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide CAS Name: N-(5-methyl-1H-1,2,4-triazol-3-yl)-5-[(2R)-1-[3-(1-pyrazolyl)propyl]-2-pyrrolidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: N-(5-methyl-1H-1,2,4-triazol-3-yl)-5-[(2R)-1-(3-pyrazol-1-ylpropyl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Traditional Name: N-(5-methyl-1H-1,2,4-triazol-3-yl)-5-[(2R)-1-(3-pyrazol-1-ylpropyl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Formula: C18H24N7OS+ MolecularWeight: 386.49446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)NC(=O)C2=CC=C(S2)C3CCC[NH+]3CCCN4C=CC=N4

Isomeric SMILES

CC1=NC(=NN1)NC(=O)C2=CC=C(S2)[C@H]3CCC[NH+]3CCCN4C=CC=N4

InChI

InChI=1S/C18H23N7OS/c1-13-20-18(23-22-13)21-17(26)16-7-6-15(27-16)14-5-2-9-24(14)10-4-12-25-11-3-8-19-25/h3,6-8,11,14H,2,4-5,9-10,12H2,1H3,(H2,20,21,22,23,26)/p+1/t14-/m1/s1