tert-butyl 16-[(4-nitrophenyl)methyl]-1,4,10,13-tetraoxa-7-aza-16-azoniacyclooctadecane-7-carboxylate

Systemtic Name: tert-butyl 16-[(4-nitrophenyl)methyl]-1,4,10,13-tetraoxa-7-aza-16-azoniacyclooctadecane-7-carboxylate Openeye Name: tert-butyl 16-[(4-nitrophenyl)methyl]-1,4,10,13-tetraoxa-7-aza-16-azoniacyclooctadecane-7-carboxylate CAS Name: 16-[(4-nitrophenyl)methyl]-1,4,10,13-tetraoxa-7-aza-16-azoniacyclooctadecane-7-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 16-[(4-nitrophenyl)methyl]-1,4,10,13-tetraoxa-7-aza-16-azoniacyclooctadecane-7-carboxylate Traditional Name: 16-(4-nitrobenzyl)-1,4,10,13-tetraoxa-7-aza-16-azoniacyclooctadecane-7-carboxylic acid tert-butyl ester Formula: C24H40N3O8+ MolecularWeight: 498.5897

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCOCCOCC[NH+](CCOCCOCC1)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCOCCOCC[NH+](CCOCCOCC1)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C24H39N3O8/c1-24(2,3)35-23(28)26-10-14-33-18-16-31-12-8-25(9-13-32-17-19-34-15-11-26)20-21-4-6-22(7-5-21)27(29)30/h4-7H,8-20H2,1-3H3/p+1