2-[(2R)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-1-ium-2-yl]-1,3-thiazole

Systemtic Name: 2-[(2R)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-1-ium-2-yl]-1,3-thiazole Openeye Name: 2-[(2R)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-1-ium-2-yl]thiazole CAS Name: 2-[(2R)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]-2-pyrrolidin-1-iumyl]thiazole IUPAC Name: 2-[(2R)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-1-ium-2-yl]-1,3-thiazole Traditional Name: 2-[(2R)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-1-ium-2-yl]thiazole Formula: C17H19N4S+ MolecularWeight: 311.42456

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=CC(=NN2)C3=CC=CC=C3)C4=NC=CS4

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC2=CC(=NN2)C3=CC=CC=C3)C4=NC=CS4

InChI

InChI=1S/C17H18N4S/c1-2-5-13(6-3-1)15-11-14(19-20-15)12-21-9-4-7-16(21)17-18-8-10-22-17/h1-3,5-6,8,10-11,16H,4,7,9,12H2,(H,19,20)/p+1/t16-/m1/s1