2-[4-[[1-methyl-4-(5-methyl-4-propan-2-yl-1,3-oxazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[1-methyl-4-(5-methyl-4-propan-2-yl-1,3-oxazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[4-(4-isopropyl-5-methyl-oxazol-2-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[1-methyl-4-(5-methyl-4-propan-2-yl-2-oxazolyl)-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[1-methyl-4-(5-methyl-4-propan-2-yl-1,3-oxazol-2-yl)-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[4-(4-isopropyl-5-methyl-oxazol-2-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Formula: C32H34N3O3+ MolecularWeight: 508.63066

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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=NC(=C(O5)C)C(C)C

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5=NC(=C(O5)C)C(C)C

InChI

InChI=1S/C32H33N3O3/c1-6-10-28-33-30-26(31-34-29(20(2)3)21(4)38-31)13-9-14-27(30)35(28,5)19-22-15-17-23(18-16-22)24-11-7-8-12-25(24)32(36)37/h7-9,11-18,20H,6,10,19H2,1-5H3/p+1