3-(2-chloroethyl)-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-one

Systemtic Name: 3-(2-chloroethyl)-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-one Openeye Name: 3-(2-chloroethyl)-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-one CAS Name: 3-(2-chloroethyl)-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-one IUPAC Name: 3-(2-chloroethyl)-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-one Traditional Name: 3-(2-chloroethyl)-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-one Formula: C12H10ClN2OS+ MolecularWeight: 265.7386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[N+]3=C(S2)NC=C(C3=O)CCCl

Isomeric SMILES

C1=CC=C2C(=C1)[N+]3=C(S2)NC=C(C3=O)CCCl

InChI

InChI=1S/C12H9ClN2OS/c13-6-5-8-7-14-12-15(11(8)16)9-3-1-2-4-10(9)17-12/h1-4,7H,5-6H2/p+1