1-hexadecylpyridin-1-ium-3-amine bromide

Systemtic Name: 1-hexadecylpyridin-1-ium-3-amine bromide Openeye Name: 1-hexadecylpyridin-1-ium-3-amine bromide CAS Name: 1-hexadecyl-3-pyridin-1-iumamine bromide IUPAC Name: 1-hexadecylpyridin-1-ium-3-amine bromide Traditional Name: (1-cetylpyridin-1-ium-3-yl)amine bromide Formula: C21H39BrN2 MolecularWeight: 399.45176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=CC=CC(=C1)N.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=CC=CC(=C1)N.[Br-]

InChI

InChI=1S/C21H39N2.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-19-16-17-21(22)20-23;/h16-17,19-20H,2-15,18,22H2,1H3;1H/q+1;/p-1