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

Systemtic Name: 1-(cyclopropylmethyl)-8-ethoxy-3-ethyl-pyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione Openeye Name: 1-(cyclopropylmethyl)-8-ethoxy-3-ethyl-pyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione CAS Name: 1-(cyclopropylmethyl)-8-ethoxy-3-ethylpyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione IUPAC Name: 1-(cyclopropylmethyl)-8-ethoxy-3-ethylpyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione Traditional Name: 1-(cyclopropylmethyl)-8-ethoxy-3-ethyl-pyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-quinone Formula: C18H21N2O3S+ MolecularWeight: 345.43594

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N2C3=C(C=C(C=C3)OCC)SC2=[N+](C1=O)CC4CC4

Isomeric SMILES

CCC1C(=O)N2C3=C(C=C(C=C3)OCC)SC2=[N+](C1=O)CC4CC4

InChI

InChI=1S/C18H21N2O3S/c1-3-13-16(21)19(10-11-5-6-11)18-20(17(13)22)14-8-7-12(23-4-2)9-15(14)24-18/h7-9,11,13H,3-6,10H2,1-2H3/q+1