1-[2-pentoxy-2-(4-propan-2-ylphenyl)ethyl]pyridin-1-ium bromide

Systemtic Name: 1-[2-pentoxy-2-(4-propan-2-ylphenyl)ethyl]pyridin-1-ium bromide Openeye Name: 1-[2-(4-isopropylphenyl)-2-pentoxy-ethyl]pyridin-1-ium bromide CAS Name: 1-[2-pentoxy-2-(4-propan-2-ylphenyl)ethyl]pyridin-1-ium bromide IUPAC Name: 1-[2-pentoxy-2-(4-propan-2-ylphenyl)ethyl]pyridin-1-ium bromide Traditional Name: 1-(2-amoxy-2-p-cumenyl-ethyl)pyridin-1-ium bromide Formula: C21H30BrNO MolecularWeight: 392.373

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(C[N+]1=CC=CC=C1)C2=CC=C(C=C2)C(C)C.[Br-]

Isomeric SMILES

CCCCCOC(C[N+]1=CC=CC=C1)C2=CC=C(C=C2)C(C)C.[Br-]

InChI

InChI=1S/C21H30NO.BrH/c1-4-5-9-16-23-21(17-22-14-7-6-8-15-22)20-12-10-19(11-13-20)18(2)3;/h6-8,10-15,18,21H,4-5,9,16-17H2,1-3H3;1H/q+1;/p-1