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

Systemtic Name: N-[(1-ethylpyridin-1-ium-3-yl)methyl]-4-hexadecoxy-3-methoxy-benzamide iodide Openeye Name: N-[(1-ethylpyridin-1-ium-3-yl)methyl]-4-hexadecoxy-3-methoxy-benzamide iodide CAS Name: N-[(1-ethyl-3-pyridin-1-iumyl)methyl]-4-hexadecoxy-3-methoxybenzamide iodide IUPAC Name: N-[(1-ethylpyridin-1-ium-3-yl)methyl]-4-hexadecoxy-3-methoxybenzamide iodide Traditional Name: 4-cetyloxy-N-[(1-ethylpyridin-1-ium-3-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=C[N+](=CC=C2)CC)OC.[I-]

Isomeric SMILES

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

InChI

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