N-[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboximidate

Systemtic Name: N-[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboximidate Openeye Name: N-(5-benzyl-1H-1,2,4-triazol-3-yl)-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboximidate CAS Name: N-[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]-5-[(2R)-2-pyrrolidin-1-iumyl]-2-thiophenecarboximidate IUPAC Name: N-(5-benzyl-1H-1,2,4-triazol-3-yl)-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboximidate Traditional Name: N-(5-benzyl-1H-1,2,4-triazol-3-yl)-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboximidate Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)C2=CC=C(S2)C(=NC3=NNC(=N3)CC4=CC=CC=C4)[O-]

Isomeric SMILES

C1C[C@@H]([NH2+]C1)C2=CC=C(S2)C(=NC3=NNC(=N3)CC4=CC=CC=C4)[O-]

InChI

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