3-heptyl-5-phenyl-6H-1,3,4-thiadiazin-3-ium-2-amine bromide

Systemtic Name: 3-heptyl-5-phenyl-6H-1,3,4-thiadiazin-3-ium-2-amine bromide Openeye Name: 3-heptyl-5-phenyl-6H-1,3,4-thiadiazin-3-ium-2-amine bromide CAS Name: 3-heptyl-5-phenyl-6H-1,3,4-thiadiazin-3-ium-2-amine bromide IUPAC Name: 3-heptyl-5-phenyl-6H-1,3,4-thiadiazin-3-ium-2-amine bromide Traditional Name: (3-heptyl-5-phenyl-6H-1,3,4-thiadiazin-3-ium-2-yl)amine bromide Formula: C16H24BrN3S MolecularWeight: 370.35086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]1=C(SCC(=N1)C2=CC=CC=C2)N.[Br-]

Isomeric SMILES

CCCCCCC[N+]1=C(SCC(=N1)C2=CC=CC=C2)N.[Br-]

InChI

InChI=1S/C16H23N3S.BrH/c1-2-3-4-5-9-12-19-16(17)20-13-15(18-19)14-10-7-6-8-11-14;/h6-8,10-11,17H,2-5,9,12-13H2,1H3;1H