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

Systemtic Name: 3-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide Openeye Name: 3-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide CAS Name: 3-[[1-(2,2-dimethylpropyl)-4-piperidin-1-iumyl]oxy]-N-[2-(1-methyl-4-pyrazolyl)ethyl]benzamide IUPAC Name: 3-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide Traditional Name: N-[2-(1-methylpyrazol-4-yl)ethyl]-3-(1-neopentylpiperidin-1-ium-4-yl)oxy-benzamide Formula: C23H35N4O2+ MolecularWeight: 399.5496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N4O2/c1-23(2,3)17-27-12-9-20(10-13-27)29-21-7-5-6-19(14-21)22(28)24-11-8-18-15-25-26(4)16-18/h5-7,14-16,20H,8-13,17H2,1-4H3,(H,24,28)/p+1