1-[(6-fluoranylnaphthalen-2-yl)methyl]pyridin-1-ium; quinoline-2,6-dicarboxamide; bromide

Systemtic Name: 1-[(6-fluoranylnaphthalen-2-yl)methyl]pyridin-1-ium; quinoline-2,6-dicarboxamide; bromide Openeye Name: 1-[(6-fluoro-2-naphthyl)methyl]pyridin-1-ium; quinoline-2,6-dicarboxamide; bromide CAS Name: 1-[(6-fluoro-2-naphthalenyl)methyl]pyridin-1-ium; quinoline-2,6-dicarboxamide; bromide IUPAC Name: 1-[(6-fluoronaphthalen-2-yl)methyl]pyridin-1-ium; quinoline-2,6-dicarboxamide; bromide Traditional Name: 1-[(6-fluoro-2-naphthyl)methyl]pyridin-1-ium; quinoline-2,6-dicarboxamide; bromide Formula: C27H22BrFN4O2 MolecularWeight: 533.391583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC2=CC3=C(C=C2)C=C(C=C3)F.C1=CC2=C(C=CC(=N2)C(=O)N)C=C1C(=O)N.[Br-]

Isomeric SMILES

C1=CC=[N+](C=C1)CC2=CC3=C(C=C2)C=C(C=C3)F.C1=CC2=C(C=CC(=N2)C(=O)N)C=C1C(=O)N.[Br-]

InChI

InChI=1S/C16H13FN.C11H9N3O2.BrH/c17-16-7-6-14-10-13(4-5-15(14)11-16)12-18-8-2-1-3-9-18;12-10(15)7-2-3-8-6(5-7)1-4-9(14-8)11(13)16;/h1-11H,12H2;1-5H,(H2,12,15)(H2,13,16);1H/q+1;;/p-1