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

Systemtic Name: 1-(cyclohexylmethyl)-3-ethyl-pyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione Openeye Name: 1-(cyclohexylmethyl)-3-ethyl-pyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione CAS Name: 1-(cyclohexylmethyl)-3-ethylpyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione IUPAC Name: 1-(cyclohexylmethyl)-3-ethylpyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione Traditional Name: 1-(cyclohexylmethyl)-3-ethyl-pyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-quinone Formula: C19H23N2O2S+ MolecularWeight: 343.46312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N2C3=CC=CC=C3SC2=[N+](C1=O)CC4CCCCC4

Isomeric SMILES

CCC1C(=O)N2C3=CC=CC=C3SC2=[N+](C1=O)CC4CCCCC4

InChI

InChI=1S/C19H23N2O2S/c1-2-14-17(22)20(12-13-8-4-3-5-9-13)19-21(18(14)23)15-10-6-7-11-16(15)24-19/h6-7,10-11,13-14H,2-5,8-9,12H2,1H3/q+1