(phenylmethyl) N-[3-[5-butyl-3-oxidanylidene-4-[[4-[2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]-4H-1,2,3-triazol-3-ium-2-yl]propyl]-N-methyl-carbamate

Systemtic Name: (phenylmethyl) N-[3-[5-butyl-3-oxidanylidene-4-[[4-[2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]-4H-1,2,3-triazol-3-ium-2-yl]propyl]-N-methyl-carbamate Openeye Name: benzyl N-[3-[5-butyl-3-oxo-4-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]-4H-triazol-3-ium-2-yl]propyl]-N-methyl-carbamate CAS Name: N-[3-[5-butyl-3-oxo-4-[[4-[2-[1-(triphenylmethyl)-5-tetrazolyl]phenyl]phenyl]methyl]-4H-triazol-3-ium-2-yl]propyl]-N-methylcarbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-[5-butyl-3-oxo-4-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]-4H-triazol-3-ium-2-yl]propyl]-N-methylcarbamate Traditional Name: N-[3-[5-butyl-3-keto-4-[4-[2-(1-trityltetrazol-5-yl)phenyl]benzyl]-4H-triazol-3-ium-2-yl]propyl]-N-methyl-carbamic acid benzyl ester Formula: C51H51N8O3+ MolecularWeight: 824.00244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN([N+](=O)C1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN=NN4C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)CCCN(C)C(=O)OCC8=CC=CC=C8

Isomeric SMILES

CCCCC1=NN([N+](=O)C1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN=NN4C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)CCCN(C)C(=O)OCC8=CC=CC=C8

InChI

InChI=1S/C51H51N8O3/c1-3-4-30-47-48(59(61)57(53-47)36-19-35-56(2)50(60)62-38-40-20-9-5-10-21-40)37-39-31-33-41(34-32-39)45-28-17-18-29-46(45)49-52-54-55-58(49)51(42-22-11-6-12-23-42,43-24-13-7-14-25-43)44-26-15-8-16-27-44/h5-18,20-29,31-34,48H,3-4,19,30,35-38H2,1-2H3/q+1