5-chloranyl-3-ethyl-2-[(E)-2-methoxybut-1-enyl]-1,3-benzothiazol-3-ium; fluoranyl sulfate

Systemtic Name: 5-chloranyl-3-ethyl-2-[(E)-2-methoxybut-1-enyl]-1,3-benzothiazol-3-ium; fluoranyl sulfate Openeye Name: 5-chloro-3-ethyl-2-[(E)-2-methoxybut-1-enyl]-1,3-benzothiazol-3-ium; fluoro sulfate CAS Name: 5-chloro-3-ethyl-2-[(E)-2-methoxybut-1-enyl]-1,3-benzothiazol-3-ium; fluoro sulfate IUPAC Name: 5-chloro-3-ethyl-2-[(E)-2-methoxybut-1-enyl]-1,3-benzothiazol-3-ium; fluoro sulfate Traditional Name: 5-chloro-3-ethyl-2-[(E)-2-methoxybut-1-enyl]-1,3-benzothiazol-3-ium; fluoro sulfate Formula: C14H17ClFNO5S2 MolecularWeight: 397.869883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=[N+](C2=C(S1)C=CC(=C2)Cl)CC)OC.[O-]S(=O)(=O)OF

Isomeric SMILES

CC/C(=C\C1=[N+](C2=C(S1)C=CC(=C2)Cl)CC)/OC.[O-]S(=O)(=O)OF

InChI

InChI=1S/C14H17ClNOS.FHO4S/c1-4-11(17-3)9-14-16(5-2)12-8-10(15)6-7-13(12)18-14;1-5-6(2,3)4/h6-9H,4-5H2,1-3H3;(H,2,3,4)/q+1;/p-1/b11-9+;