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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC=C(O4)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC=C(O4)C

InChI

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