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

Systemtic Name: 3-[4-[1-[3-(dimethylamino)propyl]imidazol-4-yl]-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid Openeye Name: 3-[4-[1-[3-(dimethylamino)propyl]imidazol-4-yl]-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid CAS Name: 3-[4-[1-[3-(dimethylamino)propyl]-4-imidazolyl]-1-methyl-2-propyl-1-benzimidazol-1-iumyl]-2-methyl-6-phenylbenzoic acid IUPAC Name: 3-[4-[1-[3-(dimethylamino)propyl]imidazol-4-yl]-1-methyl-2-propylbenzimidazol-1-ium-1-yl]-2-methyl-6-phenylbenzoic acid Traditional Name: 3-[4-[1-[3-(dimethylamino)propyl]imidazol-4-yl]-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid Formula: C33H38N5O2+ MolecularWeight: 536.68712

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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=CN(C=N5)CCCN(C)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=CN(C=N5)CCCN(C)C

InChI

InChI=1S/C33H37N5O2/c1-6-12-30-35-32-26(27-21-37(22-34-27)20-11-19-36(3)4)15-10-16-29(32)38(30,5)28-18-17-25(24-13-8-7-9-14-24)31(23(28)2)33(39)40/h7-10,13-18,21-22H,6,11-12,19-20H2,1-5H3/p+1