1-(2,2-dimethyl-3-oxidanyl-propyl)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-(2,2-dimethyl-3-oxidanyl-propyl)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(3-hydroxy-2,2-dimethyl-propyl)piperidin-1-ium-4-carboxamide CAS Name: N-[4-(3,5-dimethyl-1-pyrazolyl)phenyl]-1-(3-hydroxy-2,2-dimethylpropyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(3-hydroxy-2,2-dimethylpropyl)piperidin-1-ium-4-carboxamide Traditional Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(3-hydroxy-2,2-dimethyl-propyl)piperidin-1-ium-4-carboxamide Formula: C22H33N4O2+ MolecularWeight: 385.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)NC(=O)C3CC[NH+](CC3)CC(C)(C)CO)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)NC(=O)C3CC[NH+](CC3)CC(C)(C)CO)C

InChI

InChI=1S/C22H32N4O2/c1-16-13-17(2)26(24-16)20-7-5-19(6-8-20)23-21(28)18-9-11-25(12-10-18)14-22(3,4)15-27/h5-8,13,18,27H,9-12,14-15H2,1-4H3,(H,23,28)/p+1