N-phenyl-2-[4-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanoylamino]piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-phenyl-2-[4-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanoylamino]piperidin-1-ium-1-yl]ethanamide Openeye Name: N-phenyl-2-[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]piperidin-1-ium-1-yl]acetamide CAS Name: 2-[4-[[1-oxo-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethyl]amino]-1-piperidin-1-iumyl]-N-phenylacetamide IUPAC Name: N-phenyl-2-[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]piperidin-1-ium-1-yl]acetamide Traditional Name: N-phenyl-2-[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]piperidin-1-ium-1-yl]acetamide Formula: C27H32N3O4+ MolecularWeight: 462.56068

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(O2)C=CC(=C3)OCC(=O)NC4CC[NH+](CC4)CC(=O)NC5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C3=C(O2)C=CC(=C3)OCC(=O)NC4CC[NH+](CC4)CC(=O)NC5=CC=CC=C5

InChI

InChI=1S/C27H31N3O4/c31-26(28-19-6-2-1-3-7-19)17-30-14-12-20(13-15-30)29-27(32)18-33-21-10-11-25-23(16-21)22-8-4-5-9-24(22)34-25/h1-3,6-7,10-11,16,20H,4-5,8-9,12-15,17-18H2,(H,28,31)(H,29,32)/p+1