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

Systemtic Name: N-(3-tert-butyl-2-tetradecoxy-phenyl)-N-[(1-methylpyridin-1-ium-3-yl)methyl]ethanamide iodide Openeye Name: N-(3-tert-butyl-2-tetradecoxy-phenyl)-N-[(1-methylpyridin-1-ium-3-yl)methyl]acetamide iodide CAS Name: N-(3-tert-butyl-2-tetradecoxyphenyl)-N-[(1-methyl-3-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: N-(3-tert-butyl-2-tetradecoxyphenyl)-N-[(1-methylpyridin-1-ium-3-yl)methyl]acetamide iodide Traditional Name: N-(3-tert-butyl-2-myristyloxy-phenyl)-N-[(1-methylpyridin-1-ium-3-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=C[N+](=CC=C2)C)C(=O)C)C(C)(C)C.[I-]

Isomeric SMILES

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

InChI

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