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

Systemtic Name: N-(3-tert-butyl-2-tetradecoxy-phenyl)-N-[(1-methylpyridin-1-ium-4-yl)methyl]ethanamide iodide Openeye Name: N-(3-tert-butyl-2-tetradecoxy-phenyl)-N-[(1-methylpyridin-1-ium-4-yl)methyl]acetamide iodide CAS Name: N-(3-tert-butyl-2-tetradecoxyphenyl)-N-[(1-methyl-4-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: N-(3-tert-butyl-2-tetradecoxyphenyl)-N-[(1-methylpyridin-1-ium-4-yl)methyl]acetamide iodide Traditional Name: N-(3-tert-butyl-2-myristyloxy-phenyl)-N-[(1-methylpyridin-1-ium-4-yl)methyl]acetamide iodide Formula: C33H53IN2O2 MolecularWeight: 636.69059

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1N(CC2=CC=[N+](C=C2)C)C(=O)C)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1N(CC2=CC=[N+](C=C2)C)C(=O)C)C(C)(C)C.[I-]

InChI

InChI=1S/C33H53N2O2.HI/c1-7-8-9-10-11-12-13-14-15-16-17-18-26-37-32-30(33(3,4)5)20-19-21-31(32)35(28(2)36)27-29-22-24-34(6)25-23-29;/h19-25H,7-18,26-27H2,1-6H3;1H/q+1;/p-1