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

Systemtic Name: 2-(3-tert-butyl-4-dodecoxy-phenyl)-N-[(1-methylpyridin-1-ium-2-yl)methyl]ethanamide iodide Openeye Name: 2-(3-tert-butyl-4-dodecoxy-phenyl)-N-[(1-methylpyridin-1-ium-2-yl)methyl]acetamide iodide CAS Name: 2-(3-tert-butyl-4-dodecoxyphenyl)-N-[(1-methyl-2-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: 2-(3-tert-butyl-4-dodecoxyphenyl)-N-[(1-methylpyridin-1-ium-2-yl)methyl]acetamide iodide Traditional Name: 2-(3-tert-butyl-4-lauryloxy-phenyl)-N-[(1-methylpyridin-1-ium-2-yl)methyl]acetamide iodide Formula: C31H49IN2O2 MolecularWeight: 608.63743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)CC(=O)NCC2=CC=CC=[N+]2C)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)CC(=O)NCC2=CC=CC=[N+]2C)C(C)(C)C.[I-]

InChI

InChI=1S/C31H48N2O2.HI/c1-6-7-8-9-10-11-12-13-14-17-22-35-29-20-19-26(23-28(29)31(2,3)4)24-30(34)32-25-27-18-15-16-21-33(27)5;/h15-16,18-21,23H,6-14,17,22,24-25H2,1-5H3;1H