2-(1-ethylpyrrolidin-1-ium-1-yl)-3-phenyl-N-[8-(4-phenylmethoxyphenoxy)octyl]propanamide iodide

Systemtic Name: 2-(1-ethylpyrrolidin-1-ium-1-yl)-3-phenyl-N-[8-(4-phenylmethoxyphenoxy)octyl]propanamide iodide Openeye Name: N-[8-(4-benzyloxyphenoxy)octyl]-2-(1-ethylpyrrolidin-1-ium-1-yl)-3-phenyl-propanamide iodide CAS Name: 2-(1-ethyl-1-pyrrolidin-1-iumyl)-3-phenyl-N-[8-(4-phenylmethoxyphenoxy)octyl]propanamide iodide IUPAC Name: 2-(1-ethylpyrrolidin-1-ium-1-yl)-3-phenyl-N-[8-(4-phenylmethoxyphenoxy)octyl]propanamide iodide Traditional Name: N-[8-(4-benzoxyphenoxy)octyl]-2-(1-ethylpyrrolidin-1-ium-1-yl)-3-phenyl-propionamide iodide Formula: C36H49IN2O3 MolecularWeight: 684.69033

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCC1)C(CC2=CC=CC=C2)C(=O)NCCCCCCCCOC3=CC=C(C=C3)OCC4=CC=CC=C4.[I-]

Isomeric SMILES

CC[N+]1(CCCC1)C(CC2=CC=CC=C2)C(=O)NCCCCCCCCOC3=CC=C(C=C3)OCC4=CC=CC=C4.[I-]

InChI

InChI=1S/C36H48N2O3.HI/c1-2-38(26-14-15-27-38)35(29-31-17-9-7-10-18-31)36(39)37-25-13-5-3-4-6-16-28-40-33-21-23-34(24-22-33)41-30-32-19-11-8-12-20-32;/h7-12,17-24,35H,2-6,13-16,25-30H2,1H3;1H