2-[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]-N-(2-methoxydibenzofuran-3-yl)ethanamide

Systemtic Name: 2-[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]-N-(2-methoxydibenzofuran-3-yl)ethanamide Openeye Name: 2-[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide CAS Name: 2-[(3S)-3-(hydroxymethyl)-1-piperidin-1-iumyl]-N-(2-methoxy-3-dibenzofuranyl)acetamide IUPAC Name: 2-[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide Traditional Name: N-(2-methoxydibenzofuran-3-yl)-2-[(3S)-3-methylolpiperidin-1-ium-1-yl]acetamide Formula: C21H25N2O4+ MolecularWeight: 369.4342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)C[NH+]4CCCC(C4)CO

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)C[NH+]4CCC[C@@H](C4)CO

InChI

InChI=1S/C21H24N2O4/c1-26-20-9-16-15-6-2-3-7-18(15)27-19(16)10-17(20)22-21(25)12-23-8-4-5-14(11-23)13-24/h2-3,6-7,9-10,14,24H,4-5,8,11-13H2,1H3,(H,22,25)/p+1/t14-/m0/s1