(4-cyanophenyl)methyl-dimethyl-[(2-tetracen-5-ylphenyl)methyl]azanium bromide

Systemtic Name: (4-cyanophenyl)methyl-dimethyl-[(2-tetracen-5-ylphenyl)methyl]azanium bromide Openeye Name: (4-cyanophenyl)methyl-dimethyl-[(2-tetracen-5-ylphenyl)methyl]ammonium bromide CAS Name: (4-cyanophenyl)methyl-dimethyl-[[2-(5-tetracenyl)phenyl]methyl]ammonium bromide IUPAC Name: (4-cyanophenyl)methyl-dimethyl-[(2-tetracen-5-ylphenyl)methyl]azanium bromide Traditional Name: (4-cyanobenzyl)-dimethyl-(2-tetracen-5-ylbenzyl)ammonium bromide Formula: C35H29BrN2 MolecularWeight: 557.52216

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC1=CC=C(C=C1)C#N)CC2=CC=CC=C2C3=C4C=CC=CC4=CC5=CC6=CC=CC=C6C=C53.[Br-]

Isomeric SMILES

C[N+](C)(CC1=CC=C(C=C1)C#N)CC2=CC=CC=C2C3=C4C=CC=CC4=CC5=CC6=CC=CC=C6C=C53.[Br-]

InChI

InChI=1S/C35H29N2.BrH/c1-37(2,23-26-17-15-25(22-36)16-18-26)24-30-12-6-8-14-33(30)35-32-13-7-5-11-29(32)20-31-19-27-9-3-4-10-28(27)21-34(31)35;/h3-21H,23-24H2,1-2H3;1H/q+1;/p-1