tert-butyl 4-butyl-4-oxidanidyl-1-(phenylmethyl)-2,3-dihydropyrazine-1,4-diium-1-carboxylate

Systemtic Name: tert-butyl 4-butyl-4-oxidanidyl-1-(phenylmethyl)-2,3-dihydropyrazine-1,4-diium-1-carboxylate Openeye Name: tert-butyl 1-benzyl-4-butyl-4-oxido-2,3-dihydropyrazine-1,4-diium-1-carboxylate CAS Name: 4-butyl-4-oxido-1-(phenylmethyl)-2,3-dihydropyrazine-1,4-diium-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-benzyl-4-butyl-4-oxido-2,3-dihydropyrazine-1,4-diium-1-carboxylate Traditional Name: 1-benzyl-4-butyl-4-oxido-2,3-dihydropyrazine-1,4-diium-1-carboxylic acid tert-butyl ester Formula: C20H31N2O3+ MolecularWeight: 347.47174

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CC[N+](C=C1)(CC2=CC=CC=C2)C(=O)OC(C)(C)C)[O-]

Isomeric SMILES

CCCC[N+]1(CC[N+](C=C1)(CC2=CC=CC=C2)C(=O)OC(C)(C)C)[O-]

InChI

InChI=1S/C20H31N2O3/c1-5-6-12-22(24)15-13-21(14-16-22,19(23)25-20(2,3)4)17-18-10-8-7-9-11-18/h7-11,13,15H,5-6,12,14,16-17H2,1-4H3/q+1