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

Systemtic Name: 4-[(E)-2-(6-diethoxyphosphoryl-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N,N-dimethyl-aniline Openeye Name: 4-[(E)-2-(6-diethoxyphosphoryl-3-ethyl-1,3-benzothiazol-3-ium-2-yl)vinyl]-N,N-dimethyl-aniline CAS Name: 4-[(E)-2-(6-diethoxyphosphoryl-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N,N-dimethylaniline IUPAC Name: 4-[(E)-2-(6-diethoxyphosphoryl-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N,N-dimethylaniline Traditional Name: [4-[(E)-2-(6-diethoxyphosphoryl-3-ethyl-1,3-benzothiazol-3-ium-2-yl)vinyl]phenyl]-dimethyl-amine Formula: C23H30N2O3PS+ MolecularWeight: 445.534661

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C=CC(=C2)P(=O)(OCC)OCC)C=CC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC[N+]1=C(SC2=C1C=CC(=C2)P(=O)(OCC)OCC)/C=C/C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C23H30N2O3PS/c1-6-25-21-15-14-20(29(26,27-7-2)28-8-3)17-22(21)30-23(25)16-11-18-9-12-19(13-10-18)24(4)5/h9-17H,6-8H2,1-5H3/q+1