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

Systemtic Name: N-[2-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Openeye Name: N-[2-[1-[[5-(methoxymethyl)-2-furyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide CAS Name: N-[2-[1-[[5-(methoxymethyl)-2-furanyl]methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]cyclopentanecarboxamide IUPAC Name: N-[2-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Traditional Name: N-[2-[1-[[5-(methoxymethyl)-2-furyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Formula: C21H31N4O3+ MolecularWeight: 387.49584

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC=C(O1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4CCCC4

Isomeric SMILES

COCC1=CC=C(O1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4CCCC4

InChI

InChI=1S/C21H30N4O3/c1-27-15-19-7-6-18(28-19)14-24-12-9-17(10-13-24)25-20(8-11-22-25)23-21(26)16-4-2-3-5-16/h6-8,11,16-17H,2-5,9-10,12-15H2,1H3,(H,23,26)/p+1