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

Systemtic Name: 2-[4-[[1-methyl-4-(2-methyl-1,3-oxazol-4-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[1-methyl-4-(2-methyloxazol-4-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[1-methyl-4-(2-methyl-4-oxazolyl)-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[1-methyl-4-(2-methyl-1,3-oxazol-4-yl)-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[1-methyl-4-(2-methyloxazol-4-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Formula: C29H28N3O3+ MolecularWeight: 466.55092

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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)C

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)C

InChI

InChI=1S/C29H27N3O3/c1-4-8-27-31-28-24(25-18-35-19(2)30-25)11-7-12-26(28)32(27,3)17-20-13-15-21(16-14-20)22-9-5-6-10-23(22)29(33)34/h5-7,9-16,18H,4,8,17H2,1-3H3/p+1