2-methyl-8-phenylmethoxy-1-(phenylmethyl)-3-prop-2-ynyl-imidazo[1,2-a]pyridin-4-ium bromide

Systemtic Name: 2-methyl-8-phenylmethoxy-1-(phenylmethyl)-3-prop-2-ynyl-imidazo[1,2-a]pyridin-4-ium bromide Openeye Name: 1-benzyl-8-benzyloxy-2-methyl-3-prop-2-ynyl-imidazo[1,2-a]pyridin-4-ium bromide CAS Name: 2-methyl-8-phenylmethoxy-1-(phenylmethyl)-3-prop-2-ynylimidazo[1,2-a]pyridin-4-ium bromide IUPAC Name: 1-benzyl-2-methyl-8-phenylmethoxy-3-prop-2-ynylimidazo[1,2-a]pyridin-4-ium bromide Traditional Name: 8-benzoxy-1-benzyl-2-methyl-3-propargyl-imidazo[1,2-a]pyridin-4-ium bromide Formula: C25H23BrN2O MolecularWeight: 447.36692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+]2=CC=CC(=C2N1CC3=CC=CC=C3)OCC4=CC=CC=C4)CC#C.[Br-]

Isomeric SMILES

CC1=C([N+]2=CC=CC(=C2N1CC3=CC=CC=C3)OCC4=CC=CC=C4)CC#C.[Br-]

InChI

InChI=1S/C25H23N2O.BrH/c1-3-11-23-20(2)27(18-21-12-6-4-7-13-21)25-24(16-10-17-26(23)25)28-19-22-14-8-5-9-15-22;/h1,4-10,12-17H,11,18-19H2,2H3;1H/q+1;/p-1