1-(cyclohexylmethyl)-8-ethoxy-3-ethyl-pyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione

Systemtic Name: 1-(cyclohexylmethyl)-8-ethoxy-3-ethyl-pyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione Openeye Name: 1-(cyclohexylmethyl)-8-ethoxy-3-ethyl-pyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione CAS Name: 1-(cyclohexylmethyl)-8-ethoxy-3-ethylpyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione IUPAC Name: 1-(cyclohexylmethyl)-8-ethoxy-3-ethylpyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione Traditional Name: 1-(cyclohexylmethyl)-8-ethoxy-3-ethyl-pyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-quinone Formula: C21H27N2O3S+ MolecularWeight: 387.51568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N2C3=C(C=C(C=C3)OCC)SC2=[N+](C1=O)CC4CCCCC4

Isomeric SMILES

CCC1C(=O)N2C3=C(C=C(C=C3)OCC)SC2=[N+](C1=O)CC4CCCCC4

InChI

InChI=1S/C21H27N2O3S/c1-3-16-19(24)22(13-14-8-6-5-7-9-14)21-23(20(16)25)17-11-10-15(26-4-2)12-18(17)27-21/h10-12,14,16H,3-9,13H2,1-2H3/q+1