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

Systemtic Name: (3-methoxy-4-tetradecoxy-phenyl)methyl N-[(1-ethylpyridin-1-ium-3-yl)methyl]-N-(2-methoxyphenyl)carbonyl-carbamate iodide Openeye Name: (3-methoxy-4-tetradecoxy-phenyl)methyl N-[(1-ethylpyridin-1-ium-3-yl)methyl]-N-(2-methoxybenzoyl)carbamate iodide CAS Name: N-[(1-ethyl-3-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-3-yl)methyl]-N-(2-methoxybenzoyl)carbamate iodide Traditional Name: N-[(1-ethylpyridin-1-ium-3-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=C[N+](=CC=C2)CC)C(=O)C3=CC=CC=C3OC)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)COC(=O)N(CC2=C[N+](=CC=C2)CC)C(=O)C3=CC=CC=C3OC)OC.[I-]

InChI

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