3-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxy-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide

Systemtic Name: 3-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxy-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide Openeye Name: 3-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxy-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide CAS Name: 3-[[1-(2,2-dimethylpropyl)-4-piperidin-1-iumyl]oxy]-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide IUPAC Name: 3-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxy-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide Traditional Name: 3-(1-neopentylpiperidin-1-ium-4-yl)oxy-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide Formula: C22H33N4O2+ MolecularWeight: 385.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C[NH+]1CCC(CC1)OC2=CC=CC(=C2)C(=O)NCCC3=CNN=C3

Isomeric SMILES

CC(C)(C)C[NH+]1CCC(CC1)OC2=CC=CC(=C2)C(=O)NCCC3=CNN=C3

InChI

InChI=1S/C22H32N4O2/c1-22(2,3)16-26-11-8-19(9-12-26)28-20-6-4-5-18(13-20)21(27)23-10-7-17-14-24-25-15-17/h4-6,13-15,19H,7-12,16H2,1-3H3,(H,23,27)(H,24,25)/p+1