[2-(1,3-dioxan-2-yl)-5-(2-hydroxyethyl)phenanthridin-5-ium-6-yl]boronic acid

Systemtic Name: [2-(1,3-dioxan-2-yl)-5-(2-hydroxyethyl)phenanthridin-5-ium-6-yl]boronic acid Openeye Name: [2-(1,3-dioxan-2-yl)-5-(2-hydroxyethyl)phenanthridin-5-ium-6-yl]boronic acid CAS Name: [2-(1,3-dioxan-2-yl)-5-(2-hydroxyethyl)-6-phenanthridin-5-iumyl]boronic acid IUPAC Name: [2-(1,3-dioxan-2-yl)-5-(2-hydroxyethyl)phenanthridin-5-ium-6-yl]boronic acid Traditional Name: [2-(1,3-dioxan-2-yl)-5-(2-hydroxyethyl)phenanthridin-5-ium-6-yl]boronic acid Formula: C19H21BNO5+ MolecularWeight: 354.18474

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=[N+](C2=C(C=C(C=C2)C3OCCCO3)C4=CC=CC=C14)CCO)(O)O

Isomeric SMILES

B(C1=[N+](C2=C(C=C(C=C2)C3OCCCO3)C4=CC=CC=C14)CCO)(O)O

InChI

InChI=1S/C19H21BNO5/c22-9-8-21-17-7-6-13(19-25-10-3-11-26-19)12-16(17)14-4-1-2-5-15(14)18(21)20(23)24/h1-2,4-7,12,19,22-24H,3,8-11H2/q+1