3-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxy-N-[(1S)-1-pyrimidin-4-ylethyl]benzamide

Systemtic Name: 3-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxy-N-[(1S)-1-pyrimidin-4-ylethyl]benzamide Openeye Name: 3-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxy-N-[(1S)-1-pyrimidin-4-ylethyl]benzamide CAS Name: 3-[[1-(2,2-dimethylpropyl)-4-piperidin-1-iumyl]oxy]-N-[(1S)-1-(4-pyrimidinyl)ethyl]benzamide IUPAC Name: 3-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxy-N-[(1S)-1-pyrimidin-4-ylethyl]benzamide Traditional Name: 3-(1-neopentylpiperidin-1-ium-4-yl)oxy-N-[(1S)-1-(4-pyrimidyl)ethyl]benzamide Formula: C23H33N4O2+ MolecularWeight: 397.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=NC=C1)NC(=O)C2=CC(=CC=C2)OC3CC[NH+](CC3)CC(C)(C)C

Isomeric SMILES

C[C@@H](C1=NC=NC=C1)NC(=O)C2=CC(=CC=C2)OC3CC[NH+](CC3)CC(C)(C)C

InChI

InChI=1S/C23H32N4O2/c1-17(21-8-11-24-16-25-21)26-22(28)18-6-5-7-20(14-18)29-19-9-12-27(13-10-19)15-23(2,3)4/h5-8,11,14,16-17,19H,9-10,12-13,15H2,1-4H3,(H,26,28)/p+1/t17-/m0/s1