8-[[4-(1,4-dioxa-8,11-diazacyclotetradec-8-ylmethyl)phenyl]methyl]-1,4-dioxa-8,11-diazacyclotetradecane chloride

Systemtic Name: 8-[[4-(1,4-dioxa-8,11-diazacyclotetradec-8-ylmethyl)phenyl]methyl]-1,4-dioxa-8,11-diazacyclotetradecane chloride Openeye Name: 8-[[4-(1,4-dioxa-8,11-diazacyclotetradec-8-ylmethyl)phenyl]methyl]-1,4-dioxa-8,11-diazacyclotetradecane chloride CAS Name: 8-[[4-(1,4-dioxa-8,11-diazacyclotetradec-8-ylmethyl)phenyl]methyl]-1,4-dioxa-8,11-diazacyclotetradecane chloride IUPAC Name: 8-[[4-(1,4-dioxa-8,11-diazacyclotetradec-8-ylmethyl)phenyl]methyl]-1,4-dioxa-8,11-diazacyclotetradecane chloride Traditional Name: 8-[4-(1,4-dioxa-8,11-diazacyclotetradec-8-ylmethyl)benzyl]-1,4-dioxa-8,11-diazacyclotetradecane chloride Formula: C28H50ClN4O4- MolecularWeight: 542.174

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(CCCOCCOC1)CC2=CC=C(C=C2)CN3CCCOCCOCCCNCC3.[Cl-]

Isomeric SMILES

C1CNCCN(CCCOCCOC1)CC2=CC=C(C=C2)CN3CCCOCCOCCCNCC3.[Cl-]

InChI

InChI=1S/C28H50N4O4.ClH/c1-9-29-11-15-31(13-3-19-35-23-21-33-17-1)25-27-5-7-28(8-6-27)26-32-14-4-20-36-24-22-34-18-2-10-30-12-16-32;/h5-8,29-30H,1-4,9-26H2;1H/p-1