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

Systemtic Name: N-[2-(1-cyclohexylpiperidin-1-ium-4-yl)pyrazol-3-yl]-2-methoxy-benzamide Openeye Name: N-[2-(1-cyclohexylpiperidin-1-ium-4-yl)pyrazol-3-yl]-2-methoxy-benzamide CAS Name: N-[2-(1-cyclohexyl-4-piperidin-1-iumyl)-3-pyrazolyl]-2-methoxybenzamide IUPAC Name: N-[2-(1-cyclohexylpiperidin-1-ium-4-yl)pyrazol-3-yl]-2-methoxybenzamide Traditional Name: N-[2-(1-cyclohexylpiperidin-1-ium-4-yl)pyrazol-3-yl]-2-methoxy-benzamide Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)C4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)C4CCCCC4

InChI

InChI=1S/C22H30N4O2/c1-28-20-10-6-5-9-19(20)22(27)24-21-11-14-23-26(21)18-12-15-25(16-13-18)17-7-3-2-4-8-17/h5-6,9-11,14,17-18H,2-4,7-8,12-13,15-16H2,1H3,(H,24,27)/p+1