[3-[[4-methyl-1-[3-(2-morpholin-4-ylethyl)imidazol-4-yl]-2-propyl-benzimidazol-1-ium-1-yl]methyl]-2-phenyl-phenyl] hydrogen carbonate

Systemtic Name: [3-[[4-methyl-1-[3-(2-morpholin-4-ylethyl)imidazol-4-yl]-2-propyl-benzimidazol-1-ium-1-yl]methyl]-2-phenyl-phenyl] hydrogen carbonate Openeye Name: [3-[[4-methyl-1-[3-(2-morpholinoethyl)imidazol-4-yl]-2-propyl-benzimidazol-1-ium-1-yl]methyl]-2-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [3-[[4-methyl-1-[3-[2-(4-morpholinyl)ethyl]-4-imidazolyl]-2-propyl-1-benzimidazol-1-iumyl]methyl]-2-phenylphenyl] ester IUPAC Name: [3-[[4-methyl-1-[3-(2-morpholin-4-ylethyl)imidazol-4-yl]-2-propylbenzimidazol-1-ium-1-yl]methyl]-2-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [3-[[4-methyl-1-[3-(2-morpholinoethyl)imidazol-4-yl]-2-propyl-benzimidazol-1-ium-1-yl]methyl]-2-phenyl-phenyl] ester Formula: C34H38N5O4+ MolecularWeight: 580.69662

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC=C2[N+]1(CC3=C(C(=CC=C3)OC(=O)O)C4=CC=CC=C4)C5=CN=CN5CCN6CCOCC6)C

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[N+]1(CC3=C(C(=CC=C3)OC(=O)O)C4=CC=CC=C4)C5=CN=CN5CCN6CCOCC6)C

InChI

InChI=1S/C34H37N5O4/c1-3-9-30-36-33-25(2)10-7-14-28(33)39(30,31-22-35-24-38(31)17-16-37-18-20-42-21-19-37)23-27-13-8-15-29(43-34(40)41)32(27)26-11-5-4-6-12-26/h4-8,10-15,22,24H,3,9,16-21,23H2,1-2H3/p+1