3-(4-ethyl-2-phenyl-3H-imidazo[1,2-a]benzimidazol-4-ium-1-yl)propanoic acid

Systemtic Name: 3-(4-ethyl-2-phenyl-3H-imidazo[1,2-a]benzimidazol-4-ium-1-yl)propanoic acid Openeye Name: 3-(4-ethyl-2-phenyl-3H-imidazo[1,2-a]benzimidazol-4-ium-1-yl)propanoic acid CAS Name: 3-(4-ethyl-2-phenyl-3H-imidazo[1,2-a]benzimidazol-4-ium-1-yl)propanoic acid IUPAC Name: 3-(4-ethyl-2-phenyl-3H-imidazo[1,2-a]benzimidazol-4-ium-1-yl)propanoic acid Traditional Name: 3-(4-ethyl-2-phenyl-3H-imidazo[1,2-a]benzimidazol-4-ium-1-yl)propionic acid Formula: C20H20N3O2+ MolecularWeight: 334.3917

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C2NC(=C(N2C3=CC=CC=C31)CCC(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC[N+]1=C2NC(=C(N2C3=CC=CC=C31)CCC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C20H19N3O2/c1-2-22-15-10-6-7-11-16(15)23-17(12-13-18(24)25)19(21-20(22)23)14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,24,25)/p+1