1-[4-methoxy-6-oxidanyl-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-5-yl]ethanone

Systemtic Name: 1-[4-methoxy-6-oxidanyl-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-5-yl]ethanone Openeye Name: 1-[6-hydroxy-4-methoxy-7-(piperidin-1-ium-1-ylmethyl)benzofuran-5-yl]ethanone CAS Name: 1-[6-hydroxy-4-methoxy-7-(1-piperidin-1-iumylmethyl)-5-benzofuranyl]ethanone IUPAC Name: 1-[6-hydroxy-4-methoxy-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-5-yl]ethanone Traditional Name: 1-[6-hydroxy-4-methoxy-7-(piperidin-1-ium-1-ylmethyl)benzofuran-5-yl]ethanone Formula: C17H22NO4+ MolecularWeight: 304.36088

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C2=C(C(=C1O)C[NH+]3CCCCC3)OC=C2)OC

Isomeric SMILES

CC(=O)C1=C(C2=C(C(=C1O)C[NH+]3CCCCC3)OC=C2)OC

InChI

InChI=1S/C17H21NO4/c1-11(19)14-15(20)13(10-18-7-4-3-5-8-18)16-12(6-9-22-16)17(14)21-2/h6,9,20H,3-5,7-8,10H2,1-2H3/p+1