2-methyl-3-[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)-2-propyl-benzimidazol-1-ium-1-yl]-6-phenyl-benzoic acid

Systemtic Name: 2-methyl-3-[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)-2-propyl-benzimidazol-1-ium-1-yl]-6-phenyl-benzoic acid Openeye Name: 2-methyl-3-[1-methyl-4-(2-methylthiazol-4-yl)-2-propyl-benzimidazol-1-ium-1-yl]-6-phenyl-benzoic acid CAS Name: 2-methyl-3-[1-methyl-4-(2-methyl-4-thiazolyl)-2-propyl-1-benzimidazol-1-iumyl]-6-phenylbenzoic acid IUPAC Name: 2-methyl-3-[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)-2-propylbenzimidazol-1-ium-1-yl]-6-phenylbenzoic acid Traditional Name: 2-methyl-3-[1-methyl-4-(2-methylthiazol-4-yl)-2-propyl-benzimidazol-1-ium-1-yl]-6-phenyl-benzoic acid Formula: C29H28N3O2S+ MolecularWeight: 482.61652

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC=C2[N+]1(C)C3=C(C(=C(C=C3)C4=CC=CC=C4)C(=O)O)C)C5=CSC(=N5)C

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[N+]1(C)C3=C(C(=C(C=C3)C4=CC=CC=C4)C(=O)O)C)C5=CSC(=N5)C

InChI

InChI=1S/C29H27N3O2S/c1-5-10-26-31-28-22(23-17-35-19(3)30-23)13-9-14-25(28)32(26,4)24-16-15-21(20-11-7-6-8-12-20)27(18(24)2)29(33)34/h6-9,11-17H,5,10H2,1-4H3/p+1