4-[(E)-2-(3-butyl-5-methoxy-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N,N-dimethyl-aniline

Systemtic Name: 4-[(E)-2-(3-butyl-5-methoxy-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N,N-dimethyl-aniline Openeye Name: 4-[(E)-2-(3-butyl-5-methoxy-1,3-benzothiazol-3-ium-2-yl)vinyl]-N,N-dimethyl-aniline CAS Name: 4-[(E)-2-(3-butyl-5-methoxy-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N,N-dimethylaniline IUPAC Name: 4-[(E)-2-(3-butyl-5-methoxy-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N,N-dimethylaniline Traditional Name: [4-[(E)-2-(3-butyl-5-methoxy-1,3-benzothiazol-3-ium-2-yl)vinyl]phenyl]-dimethyl-amine Formula: C22H27N2OS+ MolecularWeight: 367.52758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N2OS/c1-5-6-15-24-20-16-19(25-4)12-13-21(20)26-22(24)14-9-17-7-10-18(11-8-17)23(2)3/h7-14,16H,5-6,15H2,1-4H3/q+1