N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-(5-methyl-2-phenyl-3-pyrazolyl)-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-(5-methyl-2-phenylpyrazol-3-yl)-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-piperidin-1-ium-1-yl-acetamide Formula: C17H23N4O+ MolecularWeight: 299.39072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C[NH+]2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C[NH+]2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C17H22N4O/c1-14-12-16(21(19-14)15-8-4-2-5-9-15)18-17(22)13-20-10-6-3-7-11-20/h2,4-5,8-9,12H,3,6-7,10-11,13H2,1H3,(H,18,22)/p+1