[6-(dimethylaminomethyl)-5-methyl-2-(methylaminomethyl)phenanthridin-5-ium-7-yl]boronic acid

Systemtic Name: [6-(dimethylaminomethyl)-5-methyl-2-(methylaminomethyl)phenanthridin-5-ium-7-yl]boronic acid Openeye Name: [6-(dimethylaminomethyl)-5-methyl-2-(methylaminomethyl)phenanthridin-5-ium-7-yl]boronic acid CAS Name: [6-(dimethylaminomethyl)-5-methyl-2-(methylaminomethyl)-7-phenanthridin-5-iumyl]boronic acid IUPAC Name: [6-(dimethylaminomethyl)-5-methyl-2-(methylaminomethyl)phenanthridin-5-ium-7-yl]boronic acid Traditional Name: [6-(dimethylaminomethyl)-5-methyl-2-(methylaminomethyl)phenanthridin-5-ium-7-yl]boronic acid Formula: C19H25BN3O2+ MolecularWeight: 338.2317

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=C2C(=CC=C1)C3=C(C=CC(=C3)CNC)[N+](=C2CN(C)C)C)(O)O

Isomeric SMILES

B(C1=C2C(=CC=C1)C3=C(C=CC(=C3)CNC)[N+](=C2CN(C)C)C)(O)O

InChI

InChI=1S/C19H25BN3O2/c1-21-11-13-8-9-17-15(10-13)14-6-5-7-16(20(24)25)19(14)18(23(17)4)12-22(2)3/h5-10,21,24-25H,11-12H2,1-4H3/q+1