ethyl 2-butyl-1-oxidanidyl-4-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-1-ium-5-carboxylate

Systemtic Name: ethyl 2-butyl-1-oxidanidyl-4-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-1-ium-5-carboxylate Openeye Name: ethyl 2-butyl-1-oxido-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-1-ium-5-carboxylate CAS Name: 2-butyl-1-oxido-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5-pyrimidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-1-oxido-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-1-ium-5-carboxylate Traditional Name: 2-butyl-1-oxido-4-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]pyrimidin-1-ium-5-carboxylic acid ethyl ester Formula: C25H26N6O3 MolecularWeight: 458.51234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[N+](C=C(C(=N1)CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OCC)[O-]

Isomeric SMILES

CCCCC1=[N+](C=C(C(=N1)CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OCC)[O-]

InChI

InChI=1S/C25H26N6O3/c1-3-5-10-23-26-22(21(16-31(23)33)25(32)34-4-2)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)24-27-29-30-28-24/h6-9,11-14,16H,3-5,10,15H2,1-2H3,(H,27,28,29,30)