2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3-(phenylmethyl)-1,3-benzothiazol-3-ium

Systemtic Name: 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3-(phenylmethyl)-1,3-benzothiazol-3-ium Openeye Name: 3-benzyl-2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-1,3-benzothiazol-3-ium CAS Name: 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3-(phenylmethyl)-1,3-benzothiazol-3-ium IUPAC Name: 3-benzyl-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-benzothiazol-3-ium Traditional Name: 3-benzyl-2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-1,3-benzothiazol-3-ium Formula: C24H22NO2S+ MolecularWeight: 388.50198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC2=[N+](C3=CC=CC=C3S2)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C2=[N+](C3=CC=CC=C3S2)CC4=CC=CC=C4)OC

InChI

InChI=1S/C24H22NO2S/c1-26-21-14-12-18(16-22(21)27-2)13-15-24-25(17-19-8-4-3-5-9-19)20-10-6-7-11-23(20)28-24/h3-16H,17H2,1-2H3/q+1/b15-13+