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

Systemtic Name: 2-phenyl-5-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]-1,3-thiazole Openeye Name: 2-phenyl-5-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]thiazole CAS Name: 2-phenyl-5-[[(3S)-3-(1H-pyrazol-5-yl)-1-piperidin-1-iumyl]methyl]thiazole IUPAC Name: 2-phenyl-5-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]-1,3-thiazole Traditional Name: 2-phenyl-5-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]thiazole Formula: C18H21N4S+ MolecularWeight: 325.45114

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CN=C(S2)C3=CC=CC=C3)C4=CC=NN4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CN=C(S2)C3=CC=CC=C3)C4=CC=NN4

InChI

InChI=1S/C18H20N4S/c1-2-5-14(6-3-1)18-19-11-16(23-18)13-22-10-4-7-15(12-22)17-8-9-20-21-17/h1-3,5-6,8-9,11,15H,4,7,10,12-13H2,(H,20,21)/p+1/t15-/m0/s1