N-[(1-ethylpyridin-1-ium-4-yl)methyl]-4-hexadecoxy-2-methoxy-benzamide iodide

Systemtic Name: N-[(1-ethylpyridin-1-ium-4-yl)methyl]-4-hexadecoxy-2-methoxy-benzamide iodide Openeye Name: N-[(1-ethylpyridin-1-ium-4-yl)methyl]-4-hexadecoxy-2-methoxy-benzamide iodide CAS Name: N-[(1-ethyl-4-pyridin-1-iumyl)methyl]-4-hexadecoxy-2-methoxybenzamide iodide IUPAC Name: N-[(1-ethylpyridin-1-ium-4-yl)methyl]-4-hexadecoxy-2-methoxybenzamide iodide Traditional Name: 4-cetyloxy-N-[(1-ethylpyridin-1-ium-4-yl)methyl]-2-methoxy-benzamide iodide Formula: C32H51IN2O3 MolecularWeight: 638.66341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)NCC2=CC=[N+](C=C2)CC)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)NCC2=CC=[N+](C=C2)CC)OC.[I-]

InChI

InChI=1S/C32H50N2O3.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-25-37-29-19-20-30(31(26-29)36-3)32(35)33-27-28-21-23-34(5-2)24-22-28;/h19-24,26H,4-18,25,27H2,1-3H3;1H