2-[[6-bromanyl-2-(3-methoxyphenyl)quinolin-4-yl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[6-bromanyl-2-(3-methoxyphenyl)quinolin-4-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[6-bromo-2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[6-bromo-2-(3-methoxyphenyl)-4-quinolinyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[6-bromo-2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[6-bromo-2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C21H23BrN3O2+ MolecularWeight: 429.33022

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C3=CC(=CC=C3)OC

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H22BrN3O2/c1-25(2)10-9-23-21(26)18-13-20(14-5-4-6-16(11-14)27-3)24-19-8-7-15(22)12-17(18)19/h4-8,11-13H,9-10H2,1-3H3,(H,23,26)/p+1