tert-butyl-[3-[2-(4-methoxyphenyl)-4H-imidazo[1,2-a]benzimidazol-9-ium-3-yl]propyl]azanium

Systemtic Name: tert-butyl-[3-[2-(4-methoxyphenyl)-4H-imidazo[1,2-a]benzimidazol-9-ium-3-yl]propyl]azanium Openeye Name: tert-butyl-[3-[2-(4-methoxyphenyl)-4H-imidazo[1,2-a]benzimidazol-9-ium-3-yl]propyl]ammonium CAS Name: tert-butyl-[3-[2-(4-methoxyphenyl)-4H-imidazo[1,2-a]benzimidazol-9-ium-3-yl]propyl]ammonium IUPAC Name: tert-butyl-[3-[2-(4-methoxyphenyl)-4H-imidazo[1,2-a]benzimidazol-9-ium-3-yl]propyl]azanium Traditional Name: tert-butyl-[3-[2-(4-methoxyphenyl)-4H-imidazo[1,2-a]benzimidazol-9-ium-3-yl]propyl]ammonium Formula: C23H30N4O+2 MolecularWeight: 378.5105

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CCCN1C(=C[N+]2=C1NC3=CC=CC=C32)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)(C)[NH2+]CCCN1C(=C[N+]2=C1NC3=CC=CC=C32)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H28N4O/c1-23(2,3)24-14-7-15-26-21(17-10-12-18(28-4)13-11-17)16-27-20-9-6-5-8-19(20)25-22(26)27/h5-6,8-13,16,24H,7,14-15H2,1-4H3/p+2