4-phenyl-1-[(1-prop-2-ynyl-3,4-dihydronaphthalen-2-yl)methyl]pyridin-1-ium bromide

Systemtic Name: 4-phenyl-1-[(1-prop-2-ynyl-3,4-dihydronaphthalen-2-yl)methyl]pyridin-1-ium bromide Openeye Name: 4-phenyl-1-[(1-prop-2-ynyl-3,4-dihydronaphthalen-2-yl)methyl]pyridin-1-ium bromide CAS Name: 4-phenyl-1-[(1-prop-2-ynyl-3,4-dihydronaphthalen-2-yl)methyl]pyridin-1-ium bromide IUPAC Name: 4-phenyl-1-[(1-prop-2-ynyl-3,4-dihydronaphthalen-2-yl)methyl]pyridin-1-ium bromide Traditional Name: 4-phenyl-1-[(1-propargyl-3,4-dihydronaphthalen-2-yl)methyl]pyridin-1-ium bromide Formula: C25H22BrN MolecularWeight: 416.35288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCC1=C(CCC2=CC=CC=C21)C[N+]3=CC=C(C=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C#CCC1=C(CCC2=CC=CC=C21)C[N+]3=CC=C(C=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C25H22N.BrH/c1-2-8-24-23(14-13-22-11-6-7-12-25(22)24)19-26-17-15-21(16-18-26)20-9-4-3-5-10-20;/h1,3-7,9-12,15-18H,8,13-14,19H2;1H/q+1;/p-1