tert-butyl [3-[[2-ethyl-4-methyl-1-[3-(2-morpholin-4-ylethyl)imidazol-4-yl]benzimidazol-1-ium-1-yl]methyl]-2-phenyl-phenyl] carbonate

Systemtic Name: tert-butyl [3-[[2-ethyl-4-methyl-1-[3-(2-morpholin-4-ylethyl)imidazol-4-yl]benzimidazol-1-ium-1-yl]methyl]-2-phenyl-phenyl] carbonate Openeye Name: tert-butyl [3-[[2-ethyl-4-methyl-1-[3-(2-morpholinoethyl)imidazol-4-yl]benzimidazol-1-ium-1-yl]methyl]-2-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [3-[[2-ethyl-4-methyl-1-[3-[2-(4-morpholinyl)ethyl]-4-imidazolyl]-1-benzimidazol-1-iumyl]methyl]-2-phenylphenyl] ester IUPAC Name: tert-butyl [3-[[2-ethyl-4-methyl-1-[3-(2-morpholin-4-ylethyl)imidazol-4-yl]benzimidazol-1-ium-1-yl]methyl]-2-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [3-[[2-ethyl-4-methyl-1-[3-(2-morpholinoethyl)imidazol-4-yl]benzimidazol-1-ium-1-yl]methyl]-2-phenyl-phenyl] ester Formula: C37H44N5O4+ MolecularWeight: 622.77636

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC=C2[N+]1(CC3=C(C(=CC=C3)OC(=O)OC(C)(C)C)C4=CC=CC=C4)C5=CN=CN5CCN6CCOCC6)C

Isomeric SMILES

CCC1=NC2=C(C=CC=C2[N+]1(CC3=C(C(=CC=C3)OC(=O)OC(C)(C)C)C4=CC=CC=C4)C5=CN=CN5CCN6CCOCC6)C

InChI

InChI=1S/C37H44N5O4/c1-6-32-39-35-27(2)12-10-16-30(35)42(32,33-24-38-26-41(33)19-18-40-20-22-44-23-21-40)25-29-15-11-17-31(45-36(43)46-37(3,4)5)34(29)28-13-8-7-9-14-28/h7-17,24,26H,6,18-23,25H2,1-5H3/q+1