10-hexadecyl-N3,N3,N6,N6-tetramethyl-acridin-10-ium-3,6-diamine bromide

Systemtic Name: 10-hexadecyl-N3,N3,N6,N6-tetramethyl-acridin-10-ium-3,6-diamine bromide Openeye Name: 10-hexadecyl-N3,N3,N6,N6-tetramethyl-acridin-10-ium-3,6-diamine bromide CAS Name: 10-hexadecyl-N3,N3,N6,N6-tetramethylacridin-10-ium-3,6-diamine bromide IUPAC Name: 10-hexadecyl-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine bromide Traditional Name: [10-cetyl-6-(dimethylamino)acridin-10-ium-3-yl]-dimethyl-amine bromide Formula: C33H52BrN3 MolecularWeight: 570.69008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N(C)C)N(C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N(C)C)N(C)C.[Br-]

InChI

InChI=1S/C33H52N3.BrH/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-36-32-26-30(34(2)3)22-20-28(32)25-29-21-23-31(35(4)5)27-33(29)36;/h20-23,25-27H,6-19,24H2,1-5H3;1H/q+1;/p-1