N,N'-bis[3-(2,4-dimethyl-6-tetradecyl-pyridin-1-ium-1-yl)propyl]butane-1,4-diamine

Systemtic Name: N,N'-bis[3-(2,4-dimethyl-6-tetradecyl-pyridin-1-ium-1-yl)propyl]butane-1,4-diamine Openeye Name: N,N'-bis[3-(2,4-dimethyl-6-tetradecyl-pyridin-1-ium-1-yl)propyl]butane-1,4-diamine CAS Name: N,N'-bis[3-(2,4-dimethyl-6-tetradecyl-1-pyridin-1-iumyl)propyl]butane-1,4-diamine IUPAC Name: N,N'-bis[3-(2,4-dimethyl-6-tetradecylpyridin-1-ium-1-yl)propyl]butane-1,4-diamine Traditional Name: 3-(2,4-dimethyl-6-myristyl-pyridin-1-ium-1-yl)propyl-[4-[3-(2,4-dimethyl-6-myristyl-pyridin-1-ium-1-yl)propylamino]butyl]amine Formula: C52H96N4+2 MolecularWeight: 777.34544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1=CC(=CC(=[N+]1CCCNCCCCNCCC[N+]2=C(C=C(C=C2CCCCCCCCCCCCCC)C)C)C)C

Isomeric SMILES

CCCCCCCCCCCCCCC1=CC(=CC(=[N+]1CCCNCCCCNCCC[N+]2=C(C=C(C=C2CCCCCCCCCCCCCC)C)C)C)C

InChI

InChI=1S/C52H96N4/c1-7-9-11-13-15-17-19-21-23-25-27-29-35-51-45-47(3)43-49(5)55(51)41-33-39-53-37-31-32-38-54-40-34-42-56-50(6)44-48(4)46-52(56)36-30-28-26-24-22-20-18-16-14-12-10-8-2/h43-46,53-54H,7-42H2,1-6H3/q+2