N-(4-hexadecoxy-3-methoxy-phenyl)-N-[(1-methylpyridin-1-ium-4-yl)methyl]ethanamide iodide

Systemtic Name: N-(4-hexadecoxy-3-methoxy-phenyl)-N-[(1-methylpyridin-1-ium-4-yl)methyl]ethanamide iodide Openeye Name: N-(4-hexadecoxy-3-methoxy-phenyl)-N-[(1-methylpyridin-1-ium-4-yl)methyl]acetamide iodide CAS Name: N-(4-hexadecoxy-3-methoxyphenyl)-N-[(1-methyl-4-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: N-(4-hexadecoxy-3-methoxyphenyl)-N-[(1-methylpyridin-1-ium-4-yl)methyl]acetamide iodide Traditional Name: N-(4-cetyloxy-3-methoxy-phenyl)-N-[(1-methylpyridin-1-ium-4-yl)methyl]acetamide iodide Formula: C32H51IN2O3 MolecularWeight: 638.66341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)N(CC2=CC=[N+](C=C2)C)C(=O)C)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)N(CC2=CC=[N+](C=C2)C)C(=O)C)OC.[I-]

InChI

InChI=1S/C32H51N2O3.HI/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-37-31-20-19-30(26-32(31)36-4)34(28(2)35)27-29-21-23-33(3)24-22-29;/h19-24,26H,5-18,25,27H2,1-4H3;1H/q+1;/p-1