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

Systemtic Name: N-[3-[4-(3-methylphenoxy)pyridin-1-ium-1-yl]propyl]-N-phenyl-aniline iodide Openeye Name: N-[3-[4-(3-methylphenoxy)pyridin-1-ium-1-yl]propyl]-N-phenyl-aniline iodide CAS Name: N-[3-[4-(3-methylphenoxy)-1-pyridin-1-iumyl]propyl]-N-phenylaniline iodide IUPAC Name: N-[3-[4-(3-methylphenoxy)pyridin-1-ium-1-yl]propyl]-N-phenylaniline iodide Traditional Name: 3-[4-(3-methylphenoxy)pyridin-1-ium-1-yl]propyl-diphenyl-amine iodide Formula: C27H27IN2O MolecularWeight: 522.42055

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=CC=[N+](C=C2)CCCN(C3=CC=CC=C3)C4=CC=CC=C4.[I-]

Isomeric SMILES

CC1=CC(=CC=C1)OC2=CC=[N+](C=C2)CCCN(C3=CC=CC=C3)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C27H27N2O.HI/c1-23-10-8-15-27(22-23)30-26-16-20-28(21-17-26)18-9-19-29(24-11-4-2-5-12-24)25-13-6-3-7-14-25;/h2-8,10-17,20-22H,9,18-19H2,1H3;1H/q+1;/p-1