1-(5-bromanyl-1H-indol-3-yl)-7-fluoranyl-3-(4-methoxyphenyl)isoquinolin-2-ium-2-amine

Systemtic Name: 1-(5-bromanyl-1H-indol-3-yl)-7-fluoranyl-3-(4-methoxyphenyl)isoquinolin-2-ium-2-amine Openeye Name: 1-(5-bromo-1H-indol-3-yl)-7-fluoro-3-(4-methoxyphenyl)isoquinolin-2-ium-2-amine CAS Name: 1-(5-bromo-1H-indol-3-yl)-7-fluoro-3-(4-methoxyphenyl)-2-isoquinolin-2-iumamine IUPAC Name: 1-(5-bromo-1H-indol-3-yl)-7-fluoro-3-(4-methoxyphenyl)isoquinolin-2-ium-2-amine Traditional Name: [1-(5-bromo-1H-indol-3-yl)-7-fluoro-3-(4-methoxyphenyl)isoquinolin-2-ium-2-yl]amine Formula: C24H18BrFN3O+ MolecularWeight: 463.321623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=[N+](C(=C3C=C(C=CC3=C2)F)C4=CNC5=C4C=C(C=C5)Br)N

Isomeric SMILES

COC1=CC=C(C=C1)C2=[N+](C(=C3C=C(C=CC3=C2)F)C4=CNC5=C4C=C(C=C5)Br)N

InChI

InChI=1S/C24H17BrFN3O/c1-30-18-7-3-14(4-8-18)23-10-15-2-6-17(26)12-19(15)24(29(23)27)21-13-28-22-9-5-16(25)11-20(21)22/h2-13H,27H2,1H3/p+1