2-(4-hexadecoxyphenyl)-2-methoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]ethanamide iodide

Systemtic Name: 2-(4-hexadecoxyphenyl)-2-methoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]ethanamide iodide Openeye Name: 2-(4-hexadecoxyphenyl)-2-methoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]acetamide iodide CAS Name: 2-(4-hexadecoxyphenyl)-2-methoxy-N-[(1-methyl-2-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: 2-(4-hexadecoxyphenyl)-2-methoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]acetamide iodide Traditional Name: 2-(4-cetyloxyphenyl)-2-methoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]acetamide iodide Formula: C32H51IN2O3 MolecularWeight: 638.66341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(C(=O)NCC2=CC=CC=[N+]2C)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(C(=O)NCC2=CC=CC=[N+]2C)OC.[I-]

InChI

InChI=1S/C32H50N2O3.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-37-30-23-21-28(22-24-30)31(36-3)32(35)33-27-29-20-17-18-25-34(29)2;/h17-18,20-25,31H,4-16,19,26-27H2,1-3H3;1H