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

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(5-methyl-2-phenyl-pyrazol-3-yl)ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(5-methyl-2-phenyl-pyrazol-3-yl)acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-(5-methyl-2-phenyl-3-pyrazolyl)acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(5-methyl-2-phenyl-pyrazol-3-yl)acetamide Formula: C24H34N5O2+ MolecularWeight: 424.55906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C24H33N5O2/c1-19-17-22(29(26-19)21-9-5-4-6-10-21)25-23(30)18-27-15-11-20(12-16-27)24(31)28-13-7-2-3-8-14-28/h4-6,9-10,17,20H,2-3,7-8,11-16,18H2,1H3,(H,25,30)/p+1