N-[2-[1-[[2-(5-methylfuran-2-yl)phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]ethanamide

Systemtic Name: N-[2-[1-[[2-(5-methylfuran-2-yl)phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]ethanamide Openeye Name: N-[2-[1-[[2-(5-methyl-2-furyl)phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide CAS Name: N-[2-[1-[[2-(5-methyl-2-furanyl)phenyl]methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]acetamide IUPAC Name: N-[2-[1-[[2-(5-methylfuran-2-yl)phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide Traditional Name: N-[2-[1-[2-(5-methyl-2-furyl)benzyl]piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=CC=CC=C2C[NH+]3CCC(CC3)N4C(=CC=N4)NC(=O)C

Isomeric SMILES

CC1=CC=C(O1)C2=CC=CC=C2C[NH+]3CCC(CC3)N4C(=CC=N4)NC(=O)C

InChI

InChI=1S/C22H26N4O2/c1-16-7-8-21(28-16)20-6-4-3-5-18(20)15-25-13-10-19(11-14-25)26-22(9-12-23-26)24-17(2)27/h3-9,12,19H,10-11,13-15H2,1-2H3,(H,24,27)/p+1