N-[2-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide

Systemtic Name: N-[2-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Openeye Name: N-[2-[1-[(3-isobutyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide CAS Name: N-[2-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]cyclopentanecarboxamide IUPAC Name: N-[2-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Traditional Name: N-[2-[1-[(3-isobutyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Formula: C22H35N6O+ MolecularWeight: 399.5529

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NNC(=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4CCCC4

Isomeric SMILES

CC(C)CC1=NNC(=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4CCCC4

InChI

InChI=1S/C22H34N6O/c1-16(2)13-18-14-19(26-25-18)15-27-11-8-20(9-12-27)28-21(7-10-23-28)24-22(29)17-5-3-4-6-17/h7,10,14,16-17,20H,3-6,8-9,11-13,15H2,1-2H3,(H,24,29)(H,25,26)/p+1