N-[2-(1-cyclooctylpiperidin-1-ium-4-yl)pyrazol-3-yl]-2-methyl-benzamide

Systemtic Name: N-[2-(1-cyclooctylpiperidin-1-ium-4-yl)pyrazol-3-yl]-2-methyl-benzamide Openeye Name: N-[2-(1-cyclooctylpiperidin-1-ium-4-yl)pyrazol-3-yl]-2-methyl-benzamide CAS Name: N-[2-(1-cyclooctyl-4-piperidin-1-iumyl)-3-pyrazolyl]-2-methylbenzamide IUPAC Name: N-[2-(1-cyclooctylpiperidin-1-ium-4-yl)pyrazol-3-yl]-2-methylbenzamide Traditional Name: N-[2-(1-cyclooctylpiperidin-1-ium-4-yl)pyrazol-3-yl]-2-methyl-benzamide Formula: C24H35N4O+ MolecularWeight: 395.5609

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)C4CCCCCCC4

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)C4CCCCCCC4

InChI

InChI=1S/C24H34N4O/c1-19-9-7-8-12-22(19)24(29)26-23-13-16-25-28(23)21-14-17-27(18-15-21)20-10-5-3-2-4-6-11-20/h7-9,12-13,16,20-21H,2-6,10-11,14-15,17-18H2,1H3,(H,26,29)/p+1