5-[(2R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide

Systemtic Name: 5-[(2R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Openeye Name: 5-[(2R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide CAS Name: 5-[(2R)-1-[[4-(1-pyrazolyl)phenyl]methyl]-2-pyrrolidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: 5-[(2R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Traditional Name: 5-[(2R)-1-(4-pyrazol-1-ylbenzyl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Formula: C19H21N4OS+ MolecularWeight: 353.46124

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=CC=C(C=C2)N3C=CC=N3)C4=CC=C(S4)C(=O)N

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC2=CC=C(C=C2)N3C=CC=N3)C4=CC=C(S4)C(=O)N

InChI

InChI=1S/C19H20N4OS/c20-19(24)18-9-8-17(25-18)16-3-1-11-22(16)13-14-4-6-15(7-5-14)23-12-2-10-21-23/h2,4-10,12,16H,1,3,11,13H2,(H2,20,24)/p+1/t16-/m1/s1