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

Systemtic Name: 3-(2-chloroethyl)-2-methyl-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-one Openeye Name: 3-(2-chloroethyl)-2-methyl-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-one CAS Name: 3-(2-chloroethyl)-2-methyl-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-one IUPAC Name: 3-(2-chloroethyl)-2-methyl-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-one Traditional Name: 3-(2-chloroethyl)-2-methyl-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-one Formula: C13H12ClN2OS+ MolecularWeight: 279.76518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)[N+]2=C(N1)SC3=CC=CC=C32)CCCl

Isomeric SMILES

CC1=C(C(=O)[N+]2=C(N1)SC3=CC=CC=C32)CCCl

InChI

InChI=1S/C13H11ClN2OS/c1-8-9(6-7-14)12(17)16-10-4-2-3-5-11(10)18-13(16)15-8/h2-5H,6-7H2,1H3/p+1