4-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide

Systemtic Name: 4-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide Openeye Name: 4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide CAS Name: 4-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)benzamide IUPAC Name: 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide Traditional Name: 4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide Formula: C22H32BrN4O+ MolecularWeight: 448.41968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3CC([NH2+]C(C3)(C)C)(C)C)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3CC([NH2+]C(C3)(C)C)(C)C)C)Br

InChI

InChI=1S/C22H31BrN4O/c1-14-19(23)15(2)27(25-14)13-16-7-9-17(10-8-16)20(28)24-18-11-21(3,4)26-22(5,6)12-18/h7-10,18,26H,11-13H2,1-6H3,(H,24,28)/p+1