1-(5,5-dimethyl-4-octyl-4,6,7,8-tetrahydrocarbazol-1-yl)ethyl-triphenyl-phosphanium bromide

Systemtic Name: 1-(5,5-dimethyl-4-octyl-4,6,7,8-tetrahydrocarbazol-1-yl)ethyl-triphenyl-phosphanium bromide Openeye Name: 1-(5,5-dimethyl-4-octyl-4,6,7,8-tetrahydrocarbazol-1-yl)ethyl-triphenyl-phosphonium bromide CAS Name: 1-(5,5-dimethyl-4-octyl-4,6,7,8-tetrahydrocarbazol-1-yl)ethyl-triphenylphosphonium bromide IUPAC Name: 1-(5,5-dimethyl-4-octyl-4,6,7,8-tetrahydrocarbazol-1-yl)ethyl-triphenylphosphanium bromide Traditional Name: 1-(5,5-dimethyl-4-octyl-4,6,7,8-tetrahydrocarbazol-1-yl)ethyl-triphenyl-phosphonium bromide Formula: C42H51BrNP MolecularWeight: 680.738801

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C=CC(=C2C1=C3C(=N2)CCCC3(C)C)C(C)[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-]

Isomeric SMILES

CCCCCCCCC1C=CC(=C2C1=C3C(=N2)CCCC3(C)C)C(C)[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-]

InChI

InChI=1S/C42H51NP.BrH/c1-5-6-7-8-9-13-21-33-29-30-37(41-39(33)40-38(43-41)28-20-31-42(40,3)4)32(2)44(34-22-14-10-15-23-34,35-24-16-11-17-25-35)36-26-18-12-19-27-36;/h10-12,14-19,22-27,29-30,32-33H,5-9,13,20-21,28,31H2,1-4H3;1H/q+1;/p-1