(phenylmethyl) 1,4,10,13-tetraoxa-7-aza-16-azoniacyclooctadecane-7-carboxylate

Systemtic Name: (phenylmethyl) 1,4,10,13-tetraoxa-7-aza-16-azoniacyclooctadecane-7-carboxylate Openeye Name: benzyl 1,4,10,13-tetraoxa-7-aza-16-azoniacyclooctadecane-7-carboxylate CAS Name: 1,4,10,13-tetraoxa-7-aza-16-azoniacyclooctadecane-7-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1,4,10,13-tetraoxa-7-aza-16-azoniacyclooctadecane-7-carboxylate Traditional Name: 1,4,10,13-tetraoxa-7-aza-16-azoniacyclooctadecane-7-carboxylic acid benzyl ester Formula: C20H33N2O6+ MolecularWeight: 397.48582

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCOCCN(CCOCCOCC[NH2+]1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1COCCOCCN(CCOCCOCC[NH2+]1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H32N2O6/c23-20(28-18-19-4-2-1-3-5-19)22-8-12-26-16-14-24-10-6-21-7-11-25-15-17-27-13-9-22/h1-5,21H,6-18H2/p+1