N-[3-[4-(4-methoxyphenoxy)pyridin-1-ium-1-yl]propyl]-N-phenyl-aniline iodide

Systemtic Name: N-[3-[4-(4-methoxyphenoxy)pyridin-1-ium-1-yl]propyl]-N-phenyl-aniline iodide Openeye Name: N-[3-[4-(4-methoxyphenoxy)pyridin-1-ium-1-yl]propyl]-N-phenyl-aniline iodide CAS Name: N-[3-[4-(4-methoxyphenoxy)-1-pyridin-1-iumyl]propyl]-N-phenylaniline iodide IUPAC Name: N-[3-[4-(4-methoxyphenoxy)pyridin-1-ium-1-yl]propyl]-N-phenylaniline iodide Traditional Name: 3-[4-(4-methoxyphenoxy)pyridin-1-ium-1-yl]propyl-diphenyl-amine iodide Formula: C27H27IN2O2 MolecularWeight: 538.41995

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=CC=[N+](C=C2)CCCN(C3=CC=CC=C3)C4=CC=CC=C4.[I-]

Isomeric SMILES

COC1=CC=C(C=C1)OC2=CC=[N+](C=C2)CCCN(C3=CC=CC=C3)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C27H27N2O2.HI/c1-30-25-13-15-26(16-14-25)31-27-17-21-28(22-18-27)19-8-20-29(23-9-4-2-5-10-23)24-11-6-3-7-12-24;/h2-7,9-18,21-22H,8,19-20H2,1H3;1H/q+1;/p-1