[5-(2-dimethylaminoethyl)-2-(methylaminomethyl)phenanthridin-5-ium-6-yl]boronic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=[N+](C2=C(C=C(C=C2)CNC)C3=CC=CC=C13)CCN(C)C)(O)O

Isomeric SMILES

B(C1=[N+](C2=C(C=C(C=C2)CNC)C3=CC=CC=C13)CCN(C)C)(O)O

InChI

InChI=1S/C19H25BN3O2/c1-21-13-14-8-9-18-17(12-14)15-6-4-5-7-16(15)19(20(24)25)23(18)11-10-22(2)3/h4-9,12,21,24-25H,10-11,13H2,1-3H3/q+1