N-[2-(1-ethylpyridin-1-ium-3-yl)ethyl]-4-[3-(2-phenylmethoxyphenyl)propyl]benzamide iodide

Systemtic Name: N-[2-(1-ethylpyridin-1-ium-3-yl)ethyl]-4-[3-(2-phenylmethoxyphenyl)propyl]benzamide iodide Openeye Name: 4-[3-(2-benzyloxyphenyl)propyl]-N-[2-(1-ethylpyridin-1-ium-3-yl)ethyl]benzamide iodide CAS Name: N-[2-(1-ethyl-3-pyridin-1-iumyl)ethyl]-4-[3-(2-phenylmethoxyphenyl)propyl]benzamide iodide IUPAC Name: N-[2-(1-ethylpyridin-1-ium-3-yl)ethyl]-4-[3-(2-phenylmethoxyphenyl)propyl]benzamide iodide Traditional Name: 4-[3-(2-benzoxyphenyl)propyl]-N-[2-(1-ethylpyridin-1-ium-3-yl)ethyl]benzamide iodide Formula: C32H35IN2O2 MolecularWeight: 606.53697

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=CC(=C1)CCNC(=O)C2=CC=C(C=C2)CCCC3=CC=CC=C3OCC4=CC=CC=C4.[I-]

Isomeric SMILES

CC[N+]1=CC=CC(=C1)CCNC(=O)C2=CC=C(C=C2)CCCC3=CC=CC=C3OCC4=CC=CC=C4.[I-]

InChI

InChI=1S/C32H34N2O2.HI/c1-2-34-23-9-13-27(24-34)21-22-33-32(35)30-19-17-26(18-20-30)12-8-15-29-14-6-7-16-31(29)36-25-28-10-4-3-5-11-28;/h3-7,9-11,13-14,16-20,23-24H,2,8,12,15,21-22,25H2,1H3;1H