1-ethyl-N-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-1-ium-7-amine iodide

Systemtic Name: 1-ethyl-N-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-1-ium-7-amine iodide Openeye Name: 1-ethyl-N-isopropyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-1-ium-7-amine iodide CAS Name: 1-ethyl-N-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-1-ium-7-amine iodide IUPAC Name: 1-ethyl-N-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-1-ium-7-amine iodide Traditional Name: (1-ethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-1-ium-7-yl)-isopropyl-amine iodide Formula: C15H22IN3S MolecularWeight: 403.32475

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C2N(CCC1)C3=C(S2)C=CC(=C3)NC(C)C.[I-]

Isomeric SMILES

CC[N+]1=C2N(CCC1)C3=C(S2)C=CC(=C3)NC(C)C.[I-]

InChI

InChI=1S/C15H22N3S.HI/c1-4-17-8-5-9-18-13-10-12(16-11(2)3)6-7-14(13)19-15(17)18;/h6-7,10-11,16H,4-5,8-9H2,1-3H3;1H/q+1;/p-1