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

Systemtic Name: butyl 2-[4-[[1-methyl-4-(2-methyl-1,3-oxazol-4-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate Openeye Name: butyl 2-[4-[[1-methyl-4-(2-methyloxazol-4-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[1-methyl-4-(2-methyl-4-oxazolyl)-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid butyl ester IUPAC Name: butyl 2-[4-[[1-methyl-4-(2-methyl-1,3-oxazol-4-yl)-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[1-methyl-4-(2-methyloxazol-4-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid butyl ester Formula: C33H36N3O3+ MolecularWeight: 522.65724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CC=C1C2=CC=C(C=C2)C[N+]3(C4=CC=CC(=C4N=C3CCC)C5=COC(=N5)C)C

Isomeric SMILES

CCCCOC(=O)C1=CC=CC=C1C2=CC=C(C=C2)C[N+]3(C4=CC=CC(=C4N=C3CCC)C5=COC(=N5)C)C

InChI

InChI=1S/C33H36N3O3/c1-5-7-20-38-33(37)27-13-9-8-12-26(27)25-18-16-24(17-19-25)21-36(4)30-15-10-14-28(29-22-39-23(3)34-29)32(30)35-31(36)11-6-2/h8-10,12-19,22H,5-7,11,20-21H2,1-4H3/q+1