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

Systemtic Name: 4-[(E)-2-(3-heptyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N,N-dimethyl-aniline iodide Openeye Name: 4-[(E)-2-(3-heptyl-1,3-benzothiazol-3-ium-2-yl)vinyl]-N,N-dimethyl-aniline iodide CAS Name: 4-[(E)-2-(3-heptyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N,N-dimethylaniline iodide IUPAC Name: 4-[(E)-2-(3-heptyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N,N-dimethylaniline iodide Traditional Name: [4-[(E)-2-(3-heptyl-1,3-benzothiazol-3-ium-2-yl)vinyl]phenyl]-dimethyl-amine iodide Formula: C24H31IN2S MolecularWeight: 506.48581

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]1=C(SC2=CC=CC=C21)C=CC3=CC=C(C=C3)N(C)C.[I-]

Isomeric SMILES

CCCCCCC[N+]1=C(SC2=CC=CC=C21)/C=C/C3=CC=C(C=C3)N(C)C.[I-]

InChI

InChI=1S/C24H31N2S.HI/c1-4-5-6-7-10-19-26-22-11-8-9-12-23(22)27-24(26)18-15-20-13-16-21(17-14-20)25(2)3;/h8-9,11-18H,4-7,10,19H2,1-3H3;1H/q+1;/p-1