[(6Z)-7-(2,3-dihydro-1H-inden-1-yl)-7-phenyl-hepta-1,6-dien-3-yl]-diethyl-azanium bromide

Systemtic Name: [(6Z)-7-(2,3-dihydro-1H-inden-1-yl)-7-phenyl-hepta-1,6-dien-3-yl]-diethyl-azanium bromide Openeye Name: diethyl-[(Z)-5-indan-1-yl-5-phenyl-1-vinyl-pent-4-enyl]ammonium bromide CAS Name: [(6Z)-7-(2,3-dihydro-1H-inden-1-yl)-7-phenylhepta-1,6-dien-3-yl]-diethylammonium bromide IUPAC Name: [(6Z)-7-(2,3-dihydro-1H-inden-1-yl)-7-phenylhepta-1,6-dien-3-yl]-diethylazanium bromide Traditional Name: diethyl-[(Z)-5-indan-1-yl-5-phenyl-1-vinyl-pent-4-enyl]ammonium bromide Formula: C26H34BrN MolecularWeight: 440.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CCC=C(C1CCC2=CC=CC=C12)C3=CC=CC=C3)C=C.[Br-]

Isomeric SMILES

CC[NH+](CC)C(CC/C=C(/C1CCC2=CC=CC=C12)\C3=CC=CC=C3)C=C.[Br-]

InChI

InChI=1S/C26H33N.BrH/c1-4-23(27(5-2)6-3)16-12-18-25(21-13-8-7-9-14-21)26-20-19-22-15-10-11-17-24(22)26;/h4,7-11,13-15,17-18,23,26H,1,5-6,12,16,19-20H2,2-3H3;1H/b25-18+;