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

Systemtic Name: N-cyclopentyl-5-ethyl-4-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-1H-pyrazole-3-carboxamide Openeye Name: N-cyclopentyl-5-ethyl-4-methyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]-1H-pyrazole-3-carboxamide CAS Name: N-cyclopentyl-5-ethyl-4-methyl-N-[[1-[2-(2-methylphenyl)ethyl]-4-piperidin-1-iumyl]methyl]-1H-pyrazole-3-carboxamide IUPAC Name: N-cyclopentyl-5-ethyl-4-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-1H-pyrazole-3-carboxamide Traditional Name: N-cyclopentyl-5-ethyl-4-methyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]-1H-pyrazole-3-carboxamide Formula: C27H41N4O+ MolecularWeight: 437.64064

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1)C(=O)N(CC2CC[NH+](CC2)CCC3=CC=CC=C3C)C4CCCC4)C

Isomeric SMILES

CCC1=C(C(=NN1)C(=O)N(CC2CC[NH+](CC2)CCC3=CC=CC=C3C)C4CCCC4)C

InChI

InChI=1S/C27H40N4O/c1-4-25-21(3)26(29-28-25)27(32)31(24-11-7-8-12-24)19-22-13-16-30(17-14-22)18-15-23-10-6-5-9-20(23)2/h5-6,9-10,22,24H,4,7-8,11-19H2,1-3H3,(H,28,29)/p+1