5-[(2R)-1-propan-2-ylpyrrolidin-1-ium-2-yl]-N-(1-propyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide

Systemtic Name: 5-[(2R)-1-propan-2-ylpyrrolidin-1-ium-2-yl]-N-(1-propyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide Openeye Name: 5-[(2R)-1-isopropylpyrrolidin-1-ium-2-yl]-N-(1-propyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide CAS Name: 5-[(2R)-1-propan-2-yl-2-pyrrolidin-1-iumyl]-N-(1-propyl-1,2,4-triazol-3-yl)-2-thiophenecarboxamide IUPAC Name: 5-[(2R)-1-propan-2-ylpyrrolidin-1-ium-2-yl]-N-(1-propyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide Traditional Name: 5-[(2R)-1-isopropylpyrrolidin-1-ium-2-yl]-N-(1-propyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide Formula: C17H26N5OS+ MolecularWeight: 348.48624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC(=N1)NC(=O)C2=CC=C(S2)C3CCC[NH+]3C(C)C

Isomeric SMILES

CCCN1C=NC(=N1)NC(=O)C2=CC=C(S2)[C@H]3CCC[NH+]3C(C)C

InChI

InChI=1S/C17H25N5OS/c1-4-9-21-11-18-17(20-21)19-16(23)15-8-7-14(24-15)13-6-5-10-22(13)12(2)3/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,19,20,23)/p+1/t13-/m1/s1