(3-methoxy-4-tetradecoxy-phenyl)methyl N-(phenylcarbonyl)-N-[(1-propylpyridin-1-ium-3-yl)methyl]carbamate iodide

Systemtic Name: (3-methoxy-4-tetradecoxy-phenyl)methyl N-(phenylcarbonyl)-N-[(1-propylpyridin-1-ium-3-yl)methyl]carbamate iodide Openeye Name: (3-methoxy-4-tetradecoxy-phenyl)methyl N-benzoyl-N-[(1-propylpyridin-1-ium-3-yl)methyl]carbamate iodide CAS Name: N-benzoyl-N-[(1-propyl-3-pyridin-1-iumyl)methyl]carbamic acid (3-methoxy-4-tetradecoxyphenyl)methyl ester iodide IUPAC Name: (3-methoxy-4-tetradecoxyphenyl)methyl N-benzoyl-N-[(1-propylpyridin-1-ium-3-yl)methyl]carbamate iodide Traditional Name: N-benzoyl-N-[(1-propylpyridin-1-ium-3-yl)methyl]carbamic acid (3-methoxy-4-myristyloxy-benzyl) ester iodide Formula: C39H55IN2O5 MolecularWeight: 758.76887

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H55N2O5.HI/c1-4-6-7-8-9-10-11-12-13-14-15-19-28-45-36-25-24-33(29-37(36)44-3)32-46-39(43)41(38(42)35-22-17-16-18-23-35)31-34-21-20-27-40(30-34)26-5-2;/h16-18,20-25,27,29-30H,4-15,19,26,28,31-32H2,1-3H3;1H/q+1;/p-1