8-hexadecyl-2-methyl-3-phenyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-8-ium bromide

Systemtic Name: 8-hexadecyl-2-methyl-3-phenyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-8-ium bromide Openeye Name: 8-hexadecyl-2-methyl-3-phenyl-6,7-dihydro-5H-thiazolo[3,2-a]pyrimidin-8-ium bromide CAS Name: 8-hexadecyl-2-methyl-3-phenyl-6,7-dihydro-5H-thiazolo[3,2-a]pyrimidin-8-ium bromide IUPAC Name: 8-hexadecyl-2-methyl-3-phenyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-8-ium bromide Traditional Name: 8-cetyl-2-methyl-3-phenyl-6,7-dihydro-5H-thiazolo[3,2-a]pyrimidin-8-ium bromide Formula: C29H47BrN2S MolecularWeight: 535.66588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H47N2S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-23-30-24-20-25-31-28(26(2)32-29(30)31)27-21-17-16-18-22-27;/h16-18,21-22H,3-15,19-20,23-25H2,1-2H3;1H/q+1;/p-1