5-(2-cyclopentyloxyphenyl)-1-(1-methylpiperidin-1-ium-4-yl)-2H-imidazo[4,5-c]pyrazole

Systemtic Name: 5-(2-cyclopentyloxyphenyl)-1-(1-methylpiperidin-1-ium-4-yl)-2H-imidazo[4,5-c]pyrazole Openeye Name: 5-[2-(cyclopentoxy)phenyl]-1-(1-methylpiperidin-1-ium-4-yl)-2H-imidazo[4,5-c]pyrazole CAS Name: 5-(2-cyclopentyloxyphenyl)-1-(1-methyl-4-piperidin-1-iumyl)-2H-imidazo[4,5-c]pyrazole IUPAC Name: 5-(2-cyclopentyloxyphenyl)-1-(1-methylpiperidin-1-ium-4-yl)-2H-imidazo[4,5-c]pyrazole Traditional Name: 5-[2-(cyclopentoxy)phenyl]-1-(1-methylpiperidin-1-ium-4-yl)-2H-imidazo[4,5-c]pyrazole Formula: C21H28N5O+ MolecularWeight: 366.47992

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N2C3=NC(=NC3=CN2)C4=CC=CC=C4OC5CCCC5

Isomeric SMILES

C[NH+]1CCC(CC1)N2C3=NC(=NC3=CN2)C4=CC=CC=C4OC5CCCC5

InChI

InChI=1S/C21H27N5O/c1-25-12-10-15(11-13-25)26-21-18(14-22-26)23-20(24-21)17-8-4-5-9-19(17)27-16-6-2-3-7-16/h4-5,8-9,14-16,22H,2-3,6-7,10-13H2,1H3/p+1