heptyl 2-[2-[(E)-2-phenylethenyl]-1,3-benzothiazol-3-ium-3-yl]ethanoate bromide

Systemtic Name: heptyl 2-[2-[(E)-2-phenylethenyl]-1,3-benzothiazol-3-ium-3-yl]ethanoate bromide Openeye Name: heptyl 2-[2-[(E)-styryl]-1,3-benzothiazol-3-ium-3-yl]acetate bromide CAS Name: 2-[2-[(E)-2-phenylethenyl]-1,3-benzothiazol-3-ium-3-yl]acetic acid heptyl ester bromide IUPAC Name: heptyl 2-[2-[(E)-2-phenylethenyl]-1,3-benzothiazol-3-ium-3-yl]acetate bromide Traditional Name: 2-[2-[(E)-styryl]-1,3-benzothiazol-3-ium-3-yl]acetic acid heptyl ester bromide Formula: C24H28BrNO2S MolecularWeight: 474.45362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C[N+]1=C(SC2=CC=CC=C21)C=CC3=CC=CC=C3.[Br-]

Isomeric SMILES

CCCCCCCOC(=O)C[N+]1=C(SC2=CC=CC=C21)/C=C/C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C24H28NO2S.BrH/c1-2-3-4-5-11-18-27-24(26)19-25-21-14-9-10-15-22(21)28-23(25)17-16-20-12-7-6-8-13-20;/h6-10,12-17H,2-5,11,18-19H2,1H3;1H/q+1;/p-1/b17-16+;