1-heptadecylpyridin-1-ium; 1-hexadecylpyridin-1-ium; bromide; chloride

Systemtic Name: 1-heptadecylpyridin-1-ium; 1-hexadecylpyridin-1-ium; bromide; chloride Openeye Name: 1-heptadecylpyridin-1-ium; 1-hexadecylpyridin-1-ium; bromide; chloride CAS Name: 1-heptadecylpyridin-1-ium; 1-hexadecylpyridin-1-ium; bromide; chloride IUPAC Name: 1-heptadecylpyridin-1-ium; 1-hexadecylpyridin-1-ium; bromide; chloride Traditional Name: 1-cetylpyridin-1-ium; 1-heptadecylpyridin-1-ium; bromide; chloride Formula: C43H78BrClN2 MolecularWeight: 738.44982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Cl-].[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Cl-].[Br-]

InChI

InChI=1S/C22H40N.C21H38N.BrH.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-21-18-16-19-22-23;1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;;/h16,18-19,21-22H,2-15,17,20H2,1H3;15,17-18,20-21H,2-14,16,19H2,1H3;2*1H/q2*+1;;/p-2