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

Systemtic Name: N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Openeye Name: N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide CAS Name: N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-5-[(2R)-2-pyrrolidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Traditional Name: N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Formula: C18H20N5OS+ MolecularWeight: 354.4493

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)C2=CC=C(S2)C(=O)NCC3=NC(=NN3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H]([NH2+]C1)C2=CC=C(S2)C(=O)NCC3=NC(=NN3)C4=CC=CC=C4

InChI

InChI=1S/C18H19N5OS/c24-18(15-9-8-14(25-15)13-7-4-10-19-13)20-11-16-21-17(23-22-16)12-5-2-1-3-6-12/h1-3,5-6,8-9,13,19H,4,7,10-11H2,(H,20,24)(H,21,22,23)/p+1/t13-/m1/s1