4-[(E)-2-(3-dodecyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N,N-dimethyl-aniline

Systemtic Name: 4-[(E)-2-(3-dodecyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N,N-dimethyl-aniline Openeye Name: 4-[(E)-2-(3-dodecyl-1,3-benzothiazol-3-ium-2-yl)vinyl]-N,N-dimethyl-aniline CAS Name: 4-[(E)-2-(3-dodecyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N,N-dimethylaniline IUPAC Name: 4-[(E)-2-(3-dodecyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N,N-dimethylaniline Traditional Name: [4-[(E)-2-(3-lauryl-1,3-benzothiazol-3-ium-2-yl)vinyl]phenyl]-dimethyl-amine Formula: C29H41N2S+ MolecularWeight: 449.71424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=C(SC2=CC=CC=C21)C=CC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCCCCCCCCCCC[N+]1=C(SC2=CC=CC=C21)/C=C/C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C29H41N2S/c1-4-5-6-7-8-9-10-11-12-15-24-31-27-16-13-14-17-28(27)32-29(31)23-20-25-18-21-26(22-19-25)30(2)3/h13-14,16-23H,4-12,15,24H2,1-3H3/q+1