methyl 2-[2-butyl-1-[[4-[4-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]-1-oxidanidyl-pyridin-1-ium-3-carboxylate

Systemtic Name: methyl 2-[2-butyl-1-[[4-[4-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]-1-oxidanidyl-pyridin-1-ium-3-carboxylate Openeye Name: methyl 2-[2-butyl-1-[[4-[4-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-1-oxido-pyridin-1-ium-3-carboxylate CAS Name: 2-[2-butyl-1-[[4-[4-[1-(triphenylmethyl)-5-tetrazolyl]phenyl]phenyl]methyl]-4-imidazolyl]-1-oxido-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 2-[2-butyl-1-[[4-[4-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-1-oxidopyridin-1-ium-3-carboxylate Traditional Name: 2-[2-butyl-1-[4-[4-(1-trityltetrazol-5-yl)phenyl]benzyl]imidazol-4-yl]-1-oxido-pyridin-1-ium-3-carboxylic acid methyl ester Formula: C47H41N7O3 MolecularWeight: 751.87354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=CN1CC2=CC=C(C=C2)C3=CC=C(C=C3)C4=NN=NN4C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C8=C(C=CC=[N+]8[O-])C(=O)OC

Isomeric SMILES

CCCCC1=NC(=CN1CC2=CC=C(C=C2)C3=CC=C(C=C3)C4=NN=NN4C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C8=C(C=CC=[N+]8[O-])C(=O)OC

InChI

InChI=1S/C47H41N7O3/c1-3-4-22-43-48-42(44-41(46(55)57-2)21-14-31-53(44)56)33-52(43)32-34-23-25-35(26-24-34)36-27-29-37(30-28-36)45-49-50-51-54(45)47(38-15-8-5-9-16-38,39-17-10-6-11-18-39)40-19-12-7-13-20-40/h5-21,23-31,33H,3-4,22,32H2,1-2H3