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

Systemtic Name: 3-ethyl-1-(2-methylpropyl)pyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione Openeye Name: 3-ethyl-1-isobutyl-pyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione CAS Name: 3-ethyl-1-(2-methylpropyl)pyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione IUPAC Name: 3-ethyl-1-(2-methylpropyl)pyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione Traditional Name: 3-ethyl-1-isobutyl-pyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-quinone Formula: C16H19N2O2S+ MolecularWeight: 303.39926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N2O2S/c1-4-11-14(19)17(9-10(2)3)16-18(15(11)20)12-7-5-6-8-13(12)21-16/h5-8,10-11H,4,9H2,1-3H3/q+1