5-[[3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]amino]pentyl-diethyl-methyl-azanium bromide

Systemtic Name: 5-[[3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]amino]pentyl-diethyl-methyl-azanium bromide Openeye Name: 5-[(3,6-dioxocyclohexa-1,4-dien-1-yl)amino]pentyl-diethyl-methyl-ammonium bromide CAS Name: 5-[(3,6-dioxo-1-cyclohexa-1,4-dienyl)amino]pentyl-diethyl-methylammonium bromide IUPAC Name: 5-[(3,6-dioxocyclohexa-1,4-dien-1-yl)amino]pentyl-diethyl-methylazanium bromide Traditional Name: 5-[(3,6-diketocyclohexa-1,4-dien-1-yl)amino]pentyl-diethyl-methyl-ammonium bromide Formula: C16H27BrN2O2 MolecularWeight: 359.30178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCCCCNC1=CC(=O)C=CC1=O.[Br-]

Isomeric SMILES

CC[N+](C)(CC)CCCCCNC1=CC(=O)C=CC1=O.[Br-]

InChI

InChI=1S/C16H26N2O2.BrH/c1-4-18(3,5-2)12-8-6-7-11-17-15-13-14(19)9-10-16(15)20;/h9-10,13H,4-8,11-12H2,1-3H3;1H