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

Systemtic Name: 6-nonyl-1-prop-2-enyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-1-ium bromide Openeye Name: 1-allyl-6-nonyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-1-ium bromide CAS Name: 6-nonyl-1-prop-2-enyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-1-ium bromide IUPAC Name: 6-nonyl-1-prop-2-enyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-1-ium bromide Traditional Name: 1-allyl-6-nonyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-1-ium bromide Formula: C22H33BrN2S MolecularWeight: 437.47982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N2S.BrH/c1-3-5-6-7-8-9-10-13-19-14-11-15-20-21(19)24-18-12-17-23(16-4-2)22(24)25-20;/h4,11,14-15H,2-3,5-10,12-13,16-18H2,1H3;1H/q+1;/p-1