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

Systemtic Name: 1-(cyclopropylmethyl)-3-ethyl-pyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione Openeye Name: 1-(cyclopropylmethyl)-3-ethyl-pyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione CAS Name: 1-(cyclopropylmethyl)-3-ethylpyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione IUPAC Name: 1-(cyclopropylmethyl)-3-ethylpyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione Traditional Name: 1-(cyclopropylmethyl)-3-ethyl-pyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-quinone Formula: C16H17N2O2S+ MolecularWeight: 301.38338

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N2C3=CC=CC=C3SC2=[N+](C1=O)CC4CC4

Isomeric SMILES

CCC1C(=O)N2C3=CC=CC=C3SC2=[N+](C1=O)CC4CC4

InChI

InChI=1S/C16H17N2O2S/c1-2-11-14(19)17(9-10-7-8-10)16-18(15(11)20)12-5-3-4-6-13(12)21-16/h3-6,10-11H,2,7-9H2,1H3/q+1