2-[4-acetamido-4-(2-methoxyphenyl)piperidin-1-ium-1-yl]-N-(furan-2-ylmethyl)ethanamide

Systemtic Name: 2-[4-acetamido-4-(2-methoxyphenyl)piperidin-1-ium-1-yl]-N-(furan-2-ylmethyl)ethanamide Openeye Name: 2-[4-acetamido-4-(2-methoxyphenyl)piperidin-1-ium-1-yl]-N-(2-furylmethyl)acetamide CAS Name: 2-[4-acetamido-4-(2-methoxyphenyl)-1-piperidin-1-iumyl]-N-(2-furanylmethyl)acetamide IUPAC Name: 2-[4-acetamido-4-(2-methoxyphenyl)piperidin-1-ium-1-yl]-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[4-acetamido-4-(2-methoxyphenyl)piperidin-1-ium-1-yl]-N-(2-furfuryl)acetamide Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1(CC[NH+](CC1)CC(=O)NCC2=CC=CO2)C3=CC=CC=C3OC

Isomeric SMILES

CC(=O)NC1(CC[NH+](CC1)CC(=O)NCC2=CC=CO2)C3=CC=CC=C3OC

InChI

InChI=1S/C21H27N3O4/c1-16(25)23-21(18-7-3-4-8-19(18)27-2)9-11-24(12-10-21)15-20(26)22-14-17-6-5-13-28-17/h3-8,13H,9-12,14-15H2,1-2H3,(H,22,26)(H,23,25)/p+1