1-(cyclopropylmethyl)-3-ethyl-7,8-dimethyl-pyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione

Systemtic Name: 1-(cyclopropylmethyl)-3-ethyl-7,8-dimethyl-pyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione Openeye Name: 1-(cyclopropylmethyl)-3-ethyl-7,8-dimethyl-pyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione CAS Name: 1-(cyclopropylmethyl)-3-ethyl-7,8-dimethylpyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione IUPAC Name: 1-(cyclopropylmethyl)-3-ethyl-7,8-dimethylpyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione Traditional Name: 1-(cyclopropylmethyl)-3-ethyl-7,8-dimethyl-pyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-quinone Formula: C18H21N2O2S+ MolecularWeight: 329.43654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N2O2S/c1-4-13-16(21)19(9-12-5-6-12)18-20(17(13)22)14-7-10(2)11(3)8-15(14)23-18/h7-8,12-13H,4-6,9H2,1-3H3/q+1