heptyl 2-(1,3-benzothiazol-3-ium-3-yl)ethanoate chloride

Systemtic Name: heptyl 2-(1,3-benzothiazol-3-ium-3-yl)ethanoate chloride Openeye Name: heptyl 2-(1,3-benzothiazol-3-ium-3-yl)acetate chloride CAS Name: 2-(1,3-benzothiazol-3-ium-3-yl)acetic acid heptyl ester chloride IUPAC Name: heptyl 2-(1,3-benzothiazol-3-ium-3-yl)acetate chloride Traditional Name: 2-(1,3-benzothiazol-3-ium-3-yl)acetic acid heptyl ester chloride Formula: C16H22ClNO2S MolecularWeight: 327.86938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C[N+]1=CSC2=CC=CC=C21.[Cl-]

Isomeric SMILES

CCCCCCCOC(=O)C[N+]1=CSC2=CC=CC=C21.[Cl-]

InChI

InChI=1S/C16H22NO2S.ClH/c1-2-3-4-5-8-11-19-16(18)12-17-13-20-15-10-7-6-9-14(15)17;/h6-7,9-10,13H,2-5,8,11-12H2,1H3;1H/q+1;/p-1