(3-tert-butyl-4-tetradecoxy-phenyl)methyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-3-yl)methyl]carbamate iodide

Systemtic Name: (3-tert-butyl-4-tetradecoxy-phenyl)methyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-3-yl)methyl]carbamate iodide Openeye Name: (3-tert-butyl-4-tetradecoxy-phenyl)methyl N-acetyl-N-[(1-ethylpyridin-1-ium-3-yl)methyl]carbamate iodide CAS Name: N-acetyl-N-[(1-ethyl-3-pyridin-1-iumyl)methyl]carbamic acid (3-tert-butyl-4-tetradecoxyphenyl)methyl ester iodide IUPAC Name: (3-tert-butyl-4-tetradecoxyphenyl)methyl N-acetyl-N-[(1-ethylpyridin-1-ium-3-yl)methyl]carbamate iodide Traditional Name: N-acetyl-N-[(1-ethylpyridin-1-ium-3-yl)methyl]carbamic acid (3-tert-butyl-4-myristyloxy-benzyl) ester iodide Formula: C36H57IN2O4 MolecularWeight: 708.75325

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)COC(=O)N(CC2=C[N+](=CC=C2)CC)C(=O)C)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)COC(=O)N(CC2=C[N+](=CC=C2)CC)C(=O)C)C(C)(C)C.[I-]

InChI

InChI=1S/C36H57N2O4.HI/c1-7-9-10-11-12-13-14-15-16-17-18-19-25-41-34-23-22-31(26-33(34)36(4,5)6)29-42-35(40)38(30(3)39)28-32-21-20-24-37(8-2)27-32;/h20-24,26-27H,7-19,25,28-29H2,1-6H3;1H/q+1;/p-1