2-ethyl-4-methyl-5-[[4-(pyrazol-1-ylmethyl)piperidin-1-ium-1-yl]methyl]-1,3-oxazole

Systemtic Name: 2-ethyl-4-methyl-5-[[4-(pyrazol-1-ylmethyl)piperidin-1-ium-1-yl]methyl]-1,3-oxazole Openeye Name: 2-ethyl-4-methyl-5-[[4-(pyrazol-1-ylmethyl)piperidin-1-ium-1-yl]methyl]oxazole CAS Name: 2-ethyl-4-methyl-5-[[4-(1-pyrazolylmethyl)-1-piperidin-1-iumyl]methyl]oxazole IUPAC Name: 2-ethyl-4-methyl-5-[[4-(pyrazol-1-ylmethyl)piperidin-1-ium-1-yl]methyl]-1,3-oxazole Traditional Name: 2-ethyl-4-methyl-5-[[4-(pyrazol-1-ylmethyl)piperidin-1-ium-1-yl]methyl]oxazole Formula: C16H25N4O+ MolecularWeight: 289.3959

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(O1)C[NH+]2CCC(CC2)CN3C=CC=N3)C

Isomeric SMILES

CCC1=NC(=C(O1)C[NH+]2CCC(CC2)CN3C=CC=N3)C

InChI

InChI=1S/C16H24N4O/c1-3-16-18-13(2)15(21-16)12-19-9-5-14(6-10-19)11-20-8-4-7-17-20/h4,7-8,14H,3,5-6,9-12H2,1-2H3/p+1