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

Systemtic Name: N,N-dimethyl-4-[(E)-2-(3-octadecyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]aniline Openeye Name: N,N-dimethyl-4-[(E)-2-(3-octadecyl-1,3-benzothiazol-3-ium-2-yl)vinyl]aniline CAS Name: N,N-dimethyl-4-[(E)-2-(3-octadecyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]aniline IUPAC Name: N,N-dimethyl-4-[(E)-2-(3-octadecyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]aniline Traditional Name: dimethyl-[4-[(E)-2-(3-stearyl-1,3-benzothiazol-3-ium-2-yl)vinyl]phenyl]amine Formula: C35H53N2S+ MolecularWeight: 533.87372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H53N2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-30-37-33-22-19-20-23-34(33)38-35(37)29-26-31-24-27-32(28-25-31)36(2)3/h19-20,22-29H,4-18,21,30H2,1-3H3/q+1