propyl 2-(2-phenethyl-1,3-benzothiazol-3-ium-3-yl)ethanoate

Systemtic Name: propyl 2-(2-phenethyl-1,3-benzothiazol-3-ium-3-yl)ethanoate Openeye Name: propyl 2-(2-phenethyl-1,3-benzothiazol-3-ium-3-yl)acetate CAS Name: 2-(2-phenethyl-1,3-benzothiazol-3-ium-3-yl)acetic acid propyl ester IUPAC Name: propyl 2-(2-phenethyl-1,3-benzothiazol-3-ium-3-yl)acetate Traditional Name: 2-(2-phenethyl-1,3-benzothiazol-3-ium-3-yl)acetic acid propyl ester Formula: C20H22NO2S+ MolecularWeight: 340.45918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C[N+]1=C(SC2=CC=CC=C21)CCC3=CC=CC=C3

Isomeric SMILES

CCCOC(=O)C[N+]1=C(SC2=CC=CC=C21)CCC3=CC=CC=C3

InChI

InChI=1S/C20H22NO2S/c1-2-14-23-20(22)15-21-17-10-6-7-11-18(17)24-19(21)13-12-16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3/q+1