2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)ethanamide

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-(5-tert-butyl-2-phenyl-3-pyrazolyl)acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(5-tert-butyl-2-phenylpyrazol-3-yl)acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)acetamide Formula: C27H40N5O2+ MolecularWeight: 466.6388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C27H39N5O2/c1-27(2,3)23-19-24(32(29-23)22-11-7-6-8-12-22)28-25(33)20-30-17-13-21(14-18-30)26(34)31-15-9-4-5-10-16-31/h6-8,11-12,19,21H,4-5,9-10,13-18,20H2,1-3H3,(H,28,33)/p+1