sodium 7,16-bis(pyridin-2-ylmethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane iodide

Systemtic Name: sodium 7,16-bis(pyridin-2-ylmethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane iodide Openeye Name: sodium 7,16-bis(2-pyridylmethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane iodide CAS Name: sodium 7,16-bis(2-pyridinylmethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane iodide IUPAC Name: sodium 7,16-bis(pyridin-2-ylmethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane iodide Traditional Name: sodium 7,16-bis(2-pyridylmethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane iodide Formula: C24H36IN4NaO4 MolecularWeight: 594.46128

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCOCCN(CCOCCOCCN1CC2=CC=CC=N2)CC3=CC=CC=N3.[Na+].[I-]

Isomeric SMILES

C1COCCOCCN(CCOCCOCCN1CC2=CC=CC=N2)CC3=CC=CC=N3.[Na+].[I-]

InChI

InChI=1S/C24H36N4O4.HI.Na/c1-3-7-25-23(5-1)21-27-9-13-29-17-19-31-15-11-28(22-24-6-2-4-8-26-24)12-16-32-20-18-30-14-10-27;;/h1-8H,9-22H2;1H;/q;;+1/p-1