N-[1-(3-tert-butyl-4-hexadecoxy-phenyl)ethyl]-1-ethyl-pyridin-1-ium-2-carboxamide

Systemtic Name: N-[1-(3-tert-butyl-4-hexadecoxy-phenyl)ethyl]-1-ethyl-pyridin-1-ium-2-carboxamide Openeye Name: N-[1-(3-tert-butyl-4-hexadecoxy-phenyl)ethyl]-1-ethyl-pyridin-1-ium-2-carboxamide CAS Name: N-[1-(3-tert-butyl-4-hexadecoxyphenyl)ethyl]-1-ethyl-2-pyridin-1-iumcarboxamide IUPAC Name: N-[1-(3-tert-butyl-4-hexadecoxyphenyl)ethyl]-1-ethylpyridin-1-ium-2-carboxamide Traditional Name: N-[1-(3-tert-butyl-4-cetyloxy-phenyl)ethyl]-1-ethyl-pyridin-1-ium-2-carboxamide Formula: C36H59N2O2+ MolecularWeight: 551.86586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(C)NC(=O)C2=CC=CC=[N+]2CC)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(C)NC(=O)C2=CC=CC=[N+]2CC)C(C)(C)C

InChI

InChI=1S/C36H58N2O2/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-23-28-40-34-26-25-31(29-32(34)36(4,5)6)30(3)37-35(39)33-24-21-22-27-38(33)8-2/h21-22,24-27,29-30H,7-20,23,28H2,1-6H3/p+1