[3-(5-methyl-2-oxidanyl-phenyl)-3-phenyl-propyl]-tris(prop-2-enyl)azanium bromide

Systemtic Name: [3-(5-methyl-2-oxidanyl-phenyl)-3-phenyl-propyl]-tris(prop-2-enyl)azanium bromide Openeye Name: triallyl-[3-(2-hydroxy-5-methyl-phenyl)-3-phenyl-propyl]ammonium bromide CAS Name: [3-(2-hydroxy-5-methylphenyl)-3-phenylpropyl]-tris(prop-2-enyl)ammonium bromide IUPAC Name: [3-(2-hydroxy-5-methylphenyl)-3-phenylpropyl]-tris(prop-2-enyl)azanium bromide Traditional Name: triallyl-[3-(2-hydroxy-5-methyl-phenyl)-3-phenyl-propyl]ammonium bromide Formula: C25H32BrNO MolecularWeight: 442.43168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(CC[N+](CC=C)(CC=C)CC=C)C2=CC=CC=C2.[Br-]

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(CC[N+](CC=C)(CC=C)CC=C)C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C25H31NO.BrH/c1-5-16-26(17-6-2,18-7-3)19-15-23(22-11-9-8-10-12-22)24-20-21(4)13-14-25(24)27;/h5-14,20,23H,1-3,15-19H2,4H3;1H