3-butyl-7-fluoranyl-1-(1H-indol-3-yl)isoquinolin-2-ium-2-amine

Systemtic Name: 3-butyl-7-fluoranyl-1-(1H-indol-3-yl)isoquinolin-2-ium-2-amine Openeye Name: 3-butyl-7-fluoro-1-(1H-indol-3-yl)isoquinolin-2-ium-2-amine CAS Name: 3-butyl-7-fluoro-1-(1H-indol-3-yl)-2-isoquinolin-2-iumamine IUPAC Name: 3-butyl-7-fluoro-1-(1H-indol-3-yl)isoquinolin-2-ium-2-amine Traditional Name: [3-butyl-7-fluoro-1-(1H-indol-3-yl)isoquinolin-2-ium-2-yl]amine Formula: C21H21FN3+ MolecularWeight: 334.409943

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[N+](C(=C2C=C(C=CC2=C1)F)C3=CNC4=CC=CC=C43)N

Isomeric SMILES

CCCCC1=[N+](C(=C2C=C(C=CC2=C1)F)C3=CNC4=CC=CC=C43)N

InChI

InChI=1S/C21H20FN3/c1-2-3-6-16-11-14-9-10-15(22)12-18(14)21(25(16)23)19-13-24-20-8-5-4-7-17(19)20/h4-5,7-13H,2-3,6,23H2,1H3/p+1