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

Systemtic Name: N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-1-ethyl-N-phenyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-1-ethyl-N-phenyl-pyridin-1-ium-3-carboxamide CAS Name: N-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]-1-ethyl-N-phenyl-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]-1-ethyl-N-phenylpyridin-1-ium-3-carboxamide Traditional Name: N-(3-tert-butyl-4-myristyloxy-benzyl)-1-ethyl-N-phenyl-pyridin-1-ium-3-carboxamide Formula: C39H57N2O2+ MolecularWeight: 585.88208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=C[N+](=CC=C3)CC)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=C[N+](=CC=C3)CC)C(C)(C)C

InChI

InChI=1S/C39H57N2O2/c1-6-8-9-10-11-12-13-14-15-16-17-21-29-43-37-27-26-33(30-36(37)39(3,4)5)31-41(35-24-19-18-20-25-35)38(42)34-23-22-28-40(7-2)32-34/h18-20,22-28,30,32H,6-17,21,29,31H2,1-5H3/q+1