N-cyclopentyl-5-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-1H-pyrazole-3-carboxamide

Systemtic Name: N-cyclopentyl-5-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-1H-pyrazole-3-carboxamide Openeye Name: N-cyclopentyl-5-methyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]-1H-pyrazole-3-carboxamide CAS Name: N-cyclopentyl-5-methyl-N-[[1-[2-(2-methylphenyl)ethyl]-4-piperidin-1-iumyl]methyl]-1H-pyrazole-3-carboxamide IUPAC Name: N-cyclopentyl-5-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-1H-pyrazole-3-carboxamide Traditional Name: N-cyclopentyl-5-methyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]-1H-pyrazole-3-carboxamide Formula: C25H37N4O+ MolecularWeight: 409.58748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC[NH+]2CCC(CC2)CN(C3CCCC3)C(=O)C4=NNC(=C4)C

Isomeric SMILES

CC1=CC=CC=C1CC[NH+]2CCC(CC2)CN(C3CCCC3)C(=O)C4=NNC(=C4)C

InChI

InChI=1S/C25H36N4O/c1-19-7-3-4-8-22(19)13-16-28-14-11-21(12-15-28)18-29(23-9-5-6-10-23)25(30)24-17-20(2)26-27-24/h3-4,7-8,17,21,23H,5-6,9-16,18H2,1-2H3,(H,26,27)/p+1