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

Systemtic Name: tert-butyl N,N-bis[2-(2,4-dimethyl-6-tetradecyl-pyridin-1-ium-1-yl)ethyl]carbamate Openeye Name: tert-butyl N,N-bis[2-(2,4-dimethyl-6-tetradecyl-pyridin-1-ium-1-yl)ethyl]carbamate CAS Name: N,N-bis[2-(2,4-dimethyl-6-tetradecyl-1-pyridin-1-iumyl)ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N,N-bis[2-(2,4-dimethyl-6-tetradecylpyridin-1-ium-1-yl)ethyl]carbamate Traditional Name: N,N-bis[2-(2,4-dimethyl-6-myristyl-pyridin-1-ium-1-yl)ethyl]carbamic acid tert-butyl ester Formula: C51H91N3O2+2 MolecularWeight: 778.28714

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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)C(=O)OC(C)(C)C)C)C

Isomeric SMILES

CCCCCCCCCCCCCCC1=CC(=CC(=[N+]1CCN(CC[N+]2=C(C=C(C=C2CCCCCCCCCCCCCC)C)C)C(=O)OC(C)(C)C)C)C

InChI

InChI=1S/C51H91N3O2/c1-10-12-14-16-18-20-22-24-26-28-30-32-34-48-42-44(3)40-46(5)53(48)38-36-52(50(55)56-51(7,8)9)37-39-54-47(6)41-45(4)43-49(54)35-33-31-29-27-25-23-21-19-17-15-13-11-2/h40-43H,10-39H2,1-9H3/q+2