N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-hexadecoxy-3-methoxy-benzamide iodide

Systemtic Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-hexadecoxy-3-methoxy-benzamide iodide Openeye Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-hexadecoxy-3-methoxy-benzamide iodide CAS Name: N-[(1-ethyl-2-pyridin-1-iumyl)methyl]-4-hexadecoxy-3-methoxybenzamide iodide IUPAC Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-hexadecoxy-3-methoxybenzamide iodide Traditional Name: 4-cetyloxy-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-3-methoxy-benzamide iodide Formula: C32H51IN2O3 MolecularWeight: 638.66341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H50N2O3.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-25-37-30-23-22-28(26-31(30)36-3)32(35)33-27-29-21-18-19-24-34(29)5-2;/h18-19,21-24,26H,4-17,20,25,27H2,1-3H3;1H