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

Systemtic Name: N-[2-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-4-methoxy-benzamide Openeye Name: N-[2-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-4-methoxy-benzamide CAS Name: N-[2-[1-(2,2-dimethylpropyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-4-methoxybenzamide IUPAC Name: N-[2-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-4-methoxybenzamide Traditional Name: 4-methoxy-N-[2-(1-neopentylpiperidin-1-ium-4-yl)pyrazol-3-yl]benzamide Formula: C21H31N4O2+ MolecularWeight: 371.49644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)C[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H30N4O2/c1-21(2,3)15-24-13-10-17(11-14-24)25-19(9-12-22-25)23-20(26)16-5-7-18(27-4)8-6-16/h5-9,12,17H,10-11,13-15H2,1-4H3,(H,23,26)/p+1