2-[2-(4-methoxyphenyl)-4H-imidazo[1,2-a]benzimidazol-9-ium-3-yl]ethyl-propan-2-yl-azanium dichloride

Systemtic Name: 2-[2-(4-methoxyphenyl)-4H-imidazo[1,2-a]benzimidazol-9-ium-3-yl]ethyl-propan-2-yl-azanium dichloride Openeye Name: isopropyl-[2-[2-(4-methoxyphenyl)-4H-imidazo[1,2-a]benzimidazol-9-ium-3-yl]ethyl]ammonium dichloride CAS Name: 2-[2-(4-methoxyphenyl)-4H-imidazo[1,2-a]benzimidazol-9-ium-3-yl]ethyl-propan-2-ylammonium dichloride IUPAC Name: 2-[2-(4-methoxyphenyl)-4H-imidazo[1,2-a]benzimidazol-9-ium-3-yl]ethyl-propan-2-ylazanium dichloride Traditional Name: isopropyl-[2-[2-(4-methoxyphenyl)-4H-imidazo[1,2-a]benzimidazol-9-ium-3-yl]ethyl]ammonium dichloride Formula: C21H26Cl2N4O MolecularWeight: 421.36334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]CCN1C(=C[N+]2=C1NC3=CC=CC=C32)C4=CC=C(C=C4)OC.[Cl-].[Cl-]

Isomeric SMILES

CC(C)[NH2+]CCN1C(=C[N+]2=C1NC3=CC=CC=C32)C4=CC=C(C=C4)OC.[Cl-].[Cl-]

InChI

InChI=1S/C21H24N4O.2ClH/c1-15(2)22-12-13-24-20(16-8-10-17(26-3)11-9-16)14-25-19-7-5-4-6-18(19)23-21(24)25;;/h4-11,14-15,22H,12-13H2,1-3H3;2*1H