N-[2-(1-cyclobutylpiperidin-1-ium-4-yl)pyrazol-3-yl]-4-methoxy-benzamide

Systemtic Name: N-[2-(1-cyclobutylpiperidin-1-ium-4-yl)pyrazol-3-yl]-4-methoxy-benzamide Openeye Name: N-[2-(1-cyclobutylpiperidin-1-ium-4-yl)pyrazol-3-yl]-4-methoxy-benzamide CAS Name: N-[2-(1-cyclobutyl-4-piperidin-1-iumyl)-3-pyrazolyl]-4-methoxybenzamide IUPAC Name: N-[2-(1-cyclobutylpiperidin-1-ium-4-yl)pyrazol-3-yl]-4-methoxybenzamide Traditional Name: N-[2-(1-cyclobutylpiperidin-1-ium-4-yl)pyrazol-3-yl]-4-methoxy-benzamide Formula: C20H27N4O2+ MolecularWeight: 355.45398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=CC=NN2C3CC[NH+](CC3)C4CCC4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=CC=NN2C3CC[NH+](CC3)C4CCC4

InChI

InChI=1S/C20H26N4O2/c1-26-18-7-5-15(6-8-18)20(25)22-19-9-12-21-24(19)17-10-13-23(14-11-17)16-3-2-4-16/h5-9,12,16-17H,2-4,10-11,13-14H2,1H3,(H,22,25)/p+1