N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-3-yl)methyl]-2-methoxy-benzamide iodide

Systemtic Name: N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-3-yl)methyl]-2-methoxy-benzamide iodide Openeye Name: N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-3-yl)methyl]-2-methoxy-benzamide iodide CAS Name: N-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]-N-[(1-ethyl-3-pyridin-1-iumyl)methyl]-2-methoxybenzamide iodide IUPAC Name: N-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]-N-[(1-ethylpyridin-1-ium-3-yl)methyl]-2-methoxybenzamide iodide Traditional Name: N-(3-tert-butyl-4-myristyloxy-benzyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]-2-methoxy-benzamide iodide Formula: C41H61IN2O3 MolecularWeight: 756.83911

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C41H61N2O3.HI/c1-7-9-10-11-12-13-14-15-16-17-18-21-29-46-39-27-26-34(30-37(39)41(3,4)5)32-43(33-35-23-22-28-42(8-2)31-35)40(44)36-24-19-20-25-38(36)45-6;/h19-20,22-28,30-31H,7-18,21,29,32-33H2,1-6H3;1H/q+1;/p-1