N,N-dimethyl-4-[(1E,3E,5E)-6-(5-methyl-3-prop-2-ynyl-1,3-benzothiazol-3-ium-2-yl)hexa-1,3,5-trienyl]aniline bromide

Systemtic Name: N,N-dimethyl-4-[(1E,3E,5E)-6-(5-methyl-3-prop-2-ynyl-1,3-benzothiazol-3-ium-2-yl)hexa-1,3,5-trienyl]aniline bromide Openeye Name: N,N-dimethyl-4-[(1E,3E,5E)-6-(5-methyl-3-prop-2-ynyl-1,3-benzothiazol-3-ium-2-yl)hexa-1,3,5-trienyl]aniline bromide CAS Name: N,N-dimethyl-4-[(1E,3E,5E)-6-(5-methyl-3-prop-2-ynyl-1,3-benzothiazol-3-ium-2-yl)hexa-1,3,5-trienyl]aniline bromide IUPAC Name: N,N-dimethyl-4-[(1E,3E,5E)-6-(5-methyl-3-prop-2-ynyl-1,3-benzothiazol-3-ium-2-yl)hexa-1,3,5-trienyl]aniline bromide Traditional Name: dimethyl-[4-[(1E,3E,5E)-6-(5-methyl-3-propargyl-1,3-benzothiazol-3-ium-2-yl)hexa-1,3,5-trienyl]phenyl]amine bromide Formula: C25H25BrN2S MolecularWeight: 465.4484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=[N+]2CC#C)C=CC=CC=CC3=CC=C(C=C3)N(C)C.[Br-]

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=[N+]2CC#C)/C=C/C=C/C=C/C3=CC=C(C=C3)N(C)C.[Br-]

InChI

InChI=1S/C25H25N2S.BrH/c1-5-18-27-23-19-20(2)12-17-24(23)28-25(27)11-9-7-6-8-10-21-13-15-22(16-14-21)26(3)4;/h1,6-17,19H,18H2,2-4H3;1H/q+1;/p-1