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

Systemtic Name: [6-(dimethylamino)-5-methyl-2-(methylaminomethyl)phenanthridin-5-ium-7-yl]boronic acid Openeye Name: [6-(dimethylamino)-5-methyl-2-(methylaminomethyl)phenanthridin-5-ium-7-yl]boronic acid CAS Name: [6-(dimethylamino)-5-methyl-2-(methylaminomethyl)-7-phenanthridin-5-iumyl]boronic acid IUPAC Name: [6-(dimethylamino)-5-methyl-2-(methylaminomethyl)phenanthridin-5-ium-7-yl]boronic acid Traditional Name: [6-(dimethylamino)-5-methyl-2-(methylaminomethyl)phenanthridin-5-ium-7-yl]boronic acid Formula: C18H23BN3O2+ MolecularWeight: 324.20512

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=C2C(=CC=C1)C3=C(C=CC(=C3)CNC)[N+](=C2N(C)C)C)(O)O

Isomeric SMILES

B(C1=C2C(=CC=C1)C3=C(C=CC(=C3)CNC)[N+](=C2N(C)C)C)(O)O

InChI

InChI=1S/C18H23BN3O2/c1-20-11-12-8-9-16-14(10-12)13-6-5-7-15(19(23)24)17(13)18(21(2)3)22(16)4/h5-10,20,23-24H,11H2,1-4H3/q+1