4-[(E)-2-(3-butyl-6-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N,N-dimethyl-aniline

Systemtic Name: 4-[(E)-2-(3-butyl-6-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N,N-dimethyl-aniline Openeye Name: 4-[(E)-2-(3-butyl-6-methyl-1,3-benzothiazol-3-ium-2-yl)vinyl]-N,N-dimethyl-aniline CAS Name: 4-[(E)-2-(3-butyl-6-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N,N-dimethylaniline IUPAC Name: 4-[(E)-2-(3-butyl-6-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N,N-dimethylaniline Traditional Name: [4-[(E)-2-(3-butyl-6-methyl-1,3-benzothiazol-3-ium-2-yl)vinyl]phenyl]-dimethyl-amine Formula: C22H27N2S+ MolecularWeight: 351.52818

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(SC2=C1C=CC(=C2)C)C=CC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCCC[N+]1=C(SC2=C1C=CC(=C2)C)/C=C/C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C22H27N2S/c1-5-6-15-24-20-13-7-17(2)16-21(20)25-22(24)14-10-18-8-11-19(12-9-18)23(3)4/h7-14,16H,5-6,15H2,1-4H3/q+1