2-(2,4-dimethyl-6-tetradecyl-pyridin-1-ium-1-yl)-N,N-bis[2-(2,4-dimethyl-6-tetradecyl-pyridin-1-ium-1-yl)ethyl]ethanamine

Systemtic Name: 2-(2,4-dimethyl-6-tetradecyl-pyridin-1-ium-1-yl)-N,N-bis[2-(2,4-dimethyl-6-tetradecyl-pyridin-1-ium-1-yl)ethyl]ethanamine Openeye Name: 2-(2,4-dimethyl-6-tetradecyl-pyridin-1-ium-1-yl)-N,N-bis[2-(2,4-dimethyl-6-tetradecyl-pyridin-1-ium-1-yl)ethyl]ethanamine CAS Name: 2-(2,4-dimethyl-6-tetradecyl-1-pyridin-1-iumyl)-N,N-bis[2-(2,4-dimethyl-6-tetradecyl-1-pyridin-1-iumyl)ethyl]ethanamine IUPAC Name: 2-(2,4-dimethyl-6-tetradecylpyridin-1-ium-1-yl)-N,N-bis[2-(2,4-dimethyl-6-tetradecylpyridin-1-ium-1-yl)ethyl]ethanamine Traditional Name: tris[2-(2,4-dimethyl-6-myristyl-pyridin-1-ium-1-yl)ethyl]amine Formula: C69H123N4+3 MolecularWeight: 1008.74172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1=CC(=CC(=[N+]1CCN(CC[N+]2=C(C=C(C=C2CCCCCCCCCCCCCC)C)C)CC[N+]3=C(C=C(C=C3CCCCCCCCCCCCCC)C)C)C)C

Isomeric SMILES

CCCCCCCCCCCCCCC1=CC(=CC(=[N+]1CCN(CC[N+]2=C(C=C(C=C2CCCCCCCCCCCCCC)C)C)CC[N+]3=C(C=C(C=C3CCCCCCCCCCCCCC)C)C)C)C

InChI

InChI=1S/C69H123N4/c1-10-13-16-19-22-25-28-31-34-37-40-43-46-67-58-61(4)55-64(7)71(67)52-49-70(50-53-72-65(8)56-62(5)59-68(72)47-44-41-38-35-32-29-26-23-20-17-14-11-2)51-54-73-66(9)57-63(6)60-69(73)48-45-42-39-36-33-30-27-24-21-18-15-12-3/h55-60H,10-54H2,1-9H3/q+3