10-dodecyl-N3,N3,N3',N3'-tetramethyl-10H-acridin-10-ium-3,3-diamine bromide

Systemtic Name: 10-dodecyl-N3,N3,N3',N3'-tetramethyl-10H-acridin-10-ium-3,3-diamine bromide Openeye Name: 10-dodecyl-N3,N3,N3',N3'-tetramethyl-10H-acridin-10-ium-3,3-diamine bromide CAS Name: 10-dodecyl-N3,N3,N3',N3'-tetramethyl-10H-acridin-10-ium-3,3-diamine bromide IUPAC Name: 10-dodecyl-3-N,3-N,3-N',3-N'-tetramethyl-10H-acridin-10-ium-3,3-diamine bromide Traditional Name: [3-(dimethylamino)-10-lauryl-10H-acridin-10-ium-3-yl]-dimethyl-amine bromide Formula: C29H46BrN3 MolecularWeight: 516.59964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[NH+]1C2=CC=CC=C2C=C3C1=CC(C=C3)(N(C)C)N(C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCC[NH+]1C2=CC=CC=C2C=C3C1=CC(C=C3)(N(C)C)N(C)C.[Br-]

InChI

InChI=1S/C29H45N3.BrH/c1-6-7-8-9-10-11-12-13-14-17-22-32-27-19-16-15-18-25(27)23-26-20-21-29(30(2)3,31(4)5)24-28(26)32;/h15-16,18-21,23-24H,6-14,17,22H2,1-5H3;1H