3-(8-bromanyloctyl)-1-[(4-methoxyphenyl)methyl]pyridin-1-ium iodide

Systemtic Name: 3-(8-bromanyloctyl)-1-[(4-methoxyphenyl)methyl]pyridin-1-ium iodide Openeye Name: 3-(8-bromooctyl)-1-[(4-methoxyphenyl)methyl]pyridin-1-ium iodide CAS Name: 3-(8-bromooctyl)-1-[(4-methoxyphenyl)methyl]pyridin-1-ium iodide IUPAC Name: 3-(8-bromooctyl)-1-[(4-methoxyphenyl)methyl]pyridin-1-ium iodide Traditional Name: 3-(8-bromooctyl)-1-p-anisyl-pyridin-1-ium iodide Formula: C21H29BrINO MolecularWeight: 518.26953

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[N+]2=CC=CC(=C2)CCCCCCCCBr.[I-]

Isomeric SMILES

COC1=CC=C(C=C1)C[N+]2=CC=CC(=C2)CCCCCCCCBr.[I-]

InChI

InChI=1S/C21H29BrNO.HI/c1-24-21-13-11-20(12-14-21)18-23-16-8-10-19(17-23)9-6-4-2-3-5-7-15-22;/h8,10-14,16-17H,2-7,9,15,18H2,1H3;1H/q+1;/p-1