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

Systemtic Name: N-[(3-tert-butyl-2-tetradecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-4-yl)methyl]benzamide iodide Openeye Name: N-[(3-tert-butyl-2-tetradecoxy-phenyl)methyl]-N-[(1-propylpyridin-1-ium-4-yl)methyl]benzamide iodide CAS Name: N-[(3-tert-butyl-2-tetradecoxyphenyl)methyl]-N-[(1-propyl-4-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: N-[(3-tert-butyl-2-tetradecoxyphenyl)methyl]-N-[(1-propylpyridin-1-ium-4-yl)methyl]benzamide iodide Traditional Name: N-(3-tert-butyl-2-myristyloxy-benzyl)-N-[(1-propylpyridin-1-ium-4-yl)methyl]benzamide iodide Formula: C41H61IN2O2 MolecularWeight: 740.83971

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1C(C)(C)C)CN(CC2=CC=[N+](C=C2)CCC)C(=O)C3=CC=CC=C3.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1C(C)(C)C)CN(CC2=CC=[N+](C=C2)CCC)C(=O)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C41H61N2O2.HI/c1-6-8-9-10-11-12-13-14-15-16-17-21-32-45-39-37(25-22-26-38(39)41(3,4)5)34-43(40(44)36-23-19-18-20-24-36)33-35-27-30-42(29-7-2)31-28-35;/h18-20,22-28,30-31H,6-17,21,29,32-34H2,1-5H3;1H/q+1;/p-1