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

Systemtic Name: 3-[1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-yl]oxy-N-phenethyl-benzamide Openeye Name: 3-[1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-4-yl]oxy-N-phenethyl-benzamide CAS Name: 3-[[1-[(5-methyl-2-furanyl)methyl]-4-piperidin-1-iumyl]oxy]-N-phenethylbenzamide IUPAC Name: 3-[1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-yl]oxy-N-phenethylbenzamide Traditional Name: 3-[1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-4-yl]oxy-N-phenethyl-benzamide Formula: C26H31N2O3+ MolecularWeight: 419.53594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCC(CC2)OC3=CC=CC(=C3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCC(CC2)OC3=CC=CC(=C3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C26H30N2O3/c1-20-10-11-25(30-20)19-28-16-13-23(14-17-28)31-24-9-5-8-22(18-24)26(29)27-15-12-21-6-3-2-4-7-21/h2-11,18,23H,12-17,19H2,1H3,(H,27,29)/p+1