5-[[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]-2-phenyl-1,3-thiazole

Systemtic Name: 5-[[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]-2-phenyl-1,3-thiazole Openeye Name: 5-[[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]-2-phenyl-thiazole CAS Name: 5-[[4-(4-ethyl-1H-pyrazol-5-yl)-1-piperidin-1-iumyl]methyl]-2-phenylthiazole IUPAC Name: 5-[[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]-2-phenyl-1,3-thiazole Traditional Name: 5-[[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]-2-phenyl-thiazole Formula: C20H25N4S+ MolecularWeight: 353.5043

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NN=C1)C2CC[NH+](CC2)CC3=CN=C(S3)C4=CC=CC=C4

Isomeric SMILES

CCC1=C(NN=C1)C2CC[NH+](CC2)CC3=CN=C(S3)C4=CC=CC=C4

InChI

InChI=1S/C20H24N4S/c1-2-15-12-22-23-19(15)16-8-10-24(11-9-16)14-18-13-21-20(25-18)17-6-4-3-5-7-17/h3-7,12-13,16H,2,8-11,14H2,1H3,(H,22,23)/p+1