1-methyl-6-nonyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-1-ium bromide

Systemtic Name: 1-methyl-6-nonyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-1-ium bromide Openeye Name: 1-methyl-6-nonyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-1-ium bromide CAS Name: 1-methyl-6-nonyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-1-ium bromide IUPAC Name: 1-methyl-6-nonyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-1-ium bromide Traditional Name: 1-methyl-6-nonyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-1-ium bromide Formula: C20H31BrN2S MolecularWeight: 411.44254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C2C(=CC=C1)SC3=[N+](CCCN23)C.[Br-]

Isomeric SMILES

CCCCCCCCCC1=C2C(=CC=C1)SC3=[N+](CCCN23)C.[Br-]

InChI

InChI=1S/C20H31N2S.BrH/c1-3-4-5-6-7-8-9-12-17-13-10-14-18-19(17)22-16-11-15-21(2)20(22)23-18;/h10,13-14H,3-9,11-12,15-16H2,1-2H3;1H/q+1;/p-1