N,1-diethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-1-ium-9-amine iodide

Systemtic Name: N,1-diethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-1-ium-9-amine iodide Openeye Name: N,1-diethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-1-ium-9-amine iodide CAS Name: N,1-diethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-1-ium-9-amine iodide IUPAC Name: N,1-diethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-1-ium-9-amine iodide Traditional Name: ethyl-(1-ethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-1-ium-9-yl)amine iodide Formula: C14H20IN3S MolecularWeight: 389.29817

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC=CC2=C1SC3=[N+](CCCN23)CC.[I-]

Isomeric SMILES

CCNC1=CC=CC2=C1SC3=[N+](CCCN23)CC.[I-]

InChI

InChI=1S/C14H20N3S.HI/c1-3-15-11-7-5-8-12-13(11)18-14-16(4-2)9-6-10-17(12)14;/h5,7-8,15H,3-4,6,9-10H2,1-2H3;1H/q+1;/p-1