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

Systemtic Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-hexadecoxy-3-methoxy-N-(phenylcarbonyl)benzamide iodide Openeye Name: N-benzoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-hexadecoxy-3-methoxy-benzamide iodide CAS Name: N-benzoyl-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]-4-hexadecoxy-3-methoxybenzamide iodide IUPAC Name: N-benzoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-hexadecoxy-3-methoxybenzamide iodide Traditional Name: N-benzoyl-4-cetyloxy-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-3-methoxy-benzamide iodide Formula: C39H55IN2O4 MolecularWeight: 742.76947

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3)OC.[I-]

InChI

InChI=1S/C39H55N2O4.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-23-30-45-36-28-27-34(31-37(36)44-3)39(43)41(38(42)33-24-19-18-20-25-33)32-35-26-21-22-29-40(35)5-2;/h18-22,24-29,31H,4-17,23,30,32H2,1-3H3;1H/q+1;/p-1