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

Systemtic Name: N-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Openeye Name: N-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide CAS Name: N-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-5-[(2R)-2-pyrrolidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: N-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Traditional Name: N-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Formula: C19H22N5OS+ MolecularWeight: 368.47588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)C2=CC(=CC=C2)NC(=O)C3=CC=C(S3)C4CCC[NH2+]4

Isomeric SMILES

CCC1=NC(=NN1)C2=CC(=CC=C2)NC(=O)C3=CC=C(S3)[C@H]4CCC[NH2+]4

InChI

InChI=1S/C19H21N5OS/c1-2-17-22-18(24-23-17)12-5-3-6-13(11-12)21-19(25)16-9-8-15(26-16)14-7-4-10-20-14/h3,5-6,8-9,11,14,20H,2,4,7,10H2,1H3,(H,21,25)(H,22,23,24)/p+1/t14-/m1/s1