1-dodecylpyridin-1-ium; 1-hexadecylpyridin-1-ium; dichloride

Systemtic Name: 1-dodecylpyridin-1-ium; 1-hexadecylpyridin-1-ium; dichloride Openeye Name: 1-dodecylpyridin-1-ium; 1-hexadecylpyridin-1-ium; dichloride CAS Name: 1-dodecylpyridin-1-ium; 1-hexadecylpyridin-1-ium; dichloride IUPAC Name: 1-dodecylpyridin-1-ium; 1-hexadecylpyridin-1-ium; dichloride Traditional Name: 1-cetylpyridin-1-ium; 1-laurylpyridin-1-ium; dichloride Formula: C38H68Cl2N2 MolecularWeight: 623.86592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H38N.C17H30N.2ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;;/h15,17-18,20-21H,2-14,16,19H2,1H3;11,13-14,16-17H,2-10,12,15H2,1H3;2*1H/q2*+1;;/p-2