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carbonic acid; 1-hexadecylpyridin-1-ium; chloride

carbonic acid; 1-hexadecylpyridin-1-ium; chloride

Systemtic Name:carbonic acid; 1-hexadecylpyridin-1-ium; chloride
Openeye Name:carbonic acid; 1-hexadecylpyridin-1-ium; chloride
CAS Name:carbonic acid; 1-hexadecylpyridin-1-ium; chloride
IUPAC Name:carbonic acid; 1-hexadecylpyridin-1-ium; chloride
Traditional Name:carbonic acid; 1-cetylpyridin-1-ium; chloride
Formula: C22H40ClNO3
MolecularWeight: 402.0109
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.C(=O)(O)O.[Cl-]


Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.C(=O)(O)O.[Cl-]


InChI

InChI=1S/C21H38N.CH2O3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;2-1(3)4;/h15,17-18,20-21H,2-14,16,19H2,1H3;(H2,2,3,4);1H/q+1;;/p-1


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