(3-methoxy-4-tetradecoxy-phenyl)methyl N-[(1-ethylpyridin-1-ium-2-yl)methyl]-N-(2-methoxyphenyl)carbonyl-carbamate iodide

Systemtic Name: (3-methoxy-4-tetradecoxy-phenyl)methyl N-[(1-ethylpyridin-1-ium-2-yl)methyl]-N-(2-methoxyphenyl)carbonyl-carbamate iodide Openeye Name: (3-methoxy-4-tetradecoxy-phenyl)methyl N-[(1-ethylpyridin-1-ium-2-yl)methyl]-N-(2-methoxybenzoyl)carbamate iodide CAS Name: N-[(1-ethyl-2-pyridin-1-iumyl)methyl]-N-[(2-methoxyphenyl)-oxomethyl]carbamic acid (3-methoxy-4-tetradecoxyphenyl)methyl ester iodide IUPAC Name: (3-methoxy-4-tetradecoxyphenyl)methyl N-[(1-ethylpyridin-1-ium-2-yl)methyl]-N-(2-methoxybenzoyl)carbamate iodide Traditional Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]-N-o-anisoyl-carbamic acid (3-methoxy-4-myristyloxy-benzyl) ester iodide Formula: C39H55IN2O6 MolecularWeight: 774.76827

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3OC)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3OC)OC.[I-]

InChI

InChI=1S/C39H55N2O6.HI/c1-5-7-8-9-10-11-12-13-14-15-16-21-28-46-36-26-25-32(29-37(36)45-4)31-47-39(43)41(30-33-22-19-20-27-40(33)6-2)38(42)34-23-17-18-24-35(34)44-3;/h17-20,22-27,29H,5-16,21,28,30-31H2,1-4H3;1H/q+1;/p-1