8-bromanyl-3-ethyl-2,4-dimethyl-pyrimido[2,1-b][1,3]benzothiazol-5-ium

Systemtic Name: 8-bromanyl-3-ethyl-2,4-dimethyl-pyrimido[2,1-b][1,3]benzothiazol-5-ium Openeye Name: 8-bromo-3-ethyl-2,4-dimethyl-pyrimido[2,1-b][1,3]benzothiazol-5-ium CAS Name: 8-bromo-3-ethyl-2,4-dimethylpyrimido[2,1-b][1,3]benzothiazol-5-ium IUPAC Name: 8-bromo-3-ethyl-2,4-dimethylpyrimido[2,1-b][1,3]benzothiazol-5-ium Traditional Name: 8-bromo-3-ethyl-2,4-dimethyl-pyrimido[2,1-b][1,3]benzothiazol-5-ium Formula: C14H14BrN2S+ MolecularWeight: 322.24336

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C2[N+](=C1C)C3=C(S2)C=C(C=C3)Br)C

Isomeric SMILES

CCC1=C(N=C2[N+](=C1C)C3=C(S2)C=C(C=C3)Br)C

InChI

InChI=1S/C14H14BrN2S/c1-4-11-8(2)16-14-17(9(11)3)12-6-5-10(15)7-13(12)18-14/h5-7H,4H2,1-3H3/q+1