2-[4-[[1-methyl-4-(2-phenyl-1,3-oxazol-4-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate

Systemtic Name: 2-[4-[[1-methyl-4-(2-phenyl-1,3-oxazol-4-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate Openeye Name: 2-[4-[[1-methyl-4-(2-phenyloxazol-4-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[1-methyl-4-(2-phenyl-4-oxazolyl)-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzoate IUPAC Name: 2-[4-[[1-methyl-4-(2-phenyl-1,3-oxazol-4-yl)-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[1-methyl-4-(2-phenyloxazol-4-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate Formula: C34H29N3O3 MolecularWeight: 527.61236

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)[O-])C5=COC(=N5)C6=CC=CC=C6

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)[O-])C5=COC(=N5)C6=CC=CC=C6

InChI

InChI=1S/C34H29N3O3/c1-3-10-31-36-32-28(29-22-40-33(35-29)25-11-5-4-6-12-25)15-9-16-30(32)37(31,2)21-23-17-19-24(20-18-23)26-13-7-8-14-27(26)34(38)39/h4-9,11-20,22H,3,10,21H2,1-2H3