2-[(2E,6E)-3,7,13-trimethyltetradeca-2,6,12-trienyl]isoquinolin-2-ium bromide

Systemtic Name: 2-[(2E,6E)-3,7,13-trimethyltetradeca-2,6,12-trienyl]isoquinolin-2-ium bromide Openeye Name: 2-[(2E,6E)-3,7,13-trimethyltetradeca-2,6,12-trienyl]isoquinolin-2-ium bromide CAS Name: 2-[(2E,6E)-3,7,13-trimethyltetradeca-2,6,12-trienyl]isoquinolin-2-ium bromide IUPAC Name: 2-[(2E,6E)-3,7,13-trimethyltetradeca-2,6,12-trienyl]isoquinolin-2-ium bromide Traditional Name: 2-[(2E,6E)-3,7,13-trimethyltetradeca-2,6,12-trienyl]isoquinolin-2-ium bromide Formula: C26H36BrN MolecularWeight: 442.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCCCC(=CCCC(=CC[N+]1=CC2=CC=CC=C2C=C1)C)C)C.[Br-]

Isomeric SMILES

CC(=CCCCC/C(=C/CC/C(=C/C[N+]1=CC2=CC=CC=C2C=C1)/C)/C)C.[Br-]

InChI

InChI=1S/C26H36N.BrH/c1-22(2)11-6-5-7-12-23(3)13-10-14-24(4)17-19-27-20-18-25-15-8-9-16-26(25)21-27;/h8-9,11,13,15-18,20-21H,5-7,10,12,14,19H2,1-4H3;1H/q+1;/p-1/b23-13+,24-17+;