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

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

Systemtic Name:tert-butyl [3-[[2-ethyl-4-methyl-1-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]benzimidazol-1-ium-1-yl]methyl]-2-phenyl-phenyl] carbonate
Openeye Name:tert-butyl [3-[[2-ethyl-4-methyl-1-[3-[3-(1-piperidyl)propyl]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-[3-(1-piperidinyl)propyl]-4-imidazolyl]-1-benzimidazol-1-iumyl]methyl]-2-phenylphenyl] ester
IUPAC Name:tert-butyl [3-[[2-ethyl-4-methyl-1-[3-(3-piperidin-1-ylpropyl)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-(3-piperidinopropyl)imidazol-4-yl]benzimidazol-1-ium-1-yl]methyl]-2-phenyl-phenyl] ester
Formula: C39H48N5O3+
MolecularWeight: 634.83012
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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=CN5CCCN6CCCCC6)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=CN5CCCN6CCCCC6)C


InChI

InChI=1S/C39H48N5O3/c1-6-34-41-37-29(2)16-13-20-32(37)44(34,35-26-40-28-43(35)25-15-24-42-22-11-8-12-23-42)27-31-19-14-21-33(46-38(45)47-39(3,4)5)36(31)30-17-9-7-10-18-30/h7,9-10,13-14,16-21,26,28H,6,8,11-12,15,22-25,27H2,1-5H3/q+1


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