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

Systemtic Name: 3-[2-(4-methoxyphenyl)-4H-imidazo[1,2-a]benzimidazol-9-ium-3-yl]propyl-propan-2-yl-azanium dichloride Openeye Name: isopropyl-[3-[2-(4-methoxyphenyl)-4H-imidazo[1,2-a]benzimidazol-9-ium-3-yl]propyl]ammonium dichloride CAS Name: 3-[2-(4-methoxyphenyl)-4H-imidazo[1,2-a]benzimidazol-9-ium-3-yl]propyl-propan-2-ylammonium dichloride IUPAC Name: 3-[2-(4-methoxyphenyl)-4H-imidazo[1,2-a]benzimidazol-9-ium-3-yl]propyl-propan-2-ylazanium dichloride Traditional Name: isopropyl-[3-[2-(4-methoxyphenyl)-4H-imidazo[1,2-a]benzimidazol-9-ium-3-yl]propyl]ammonium dichloride Formula: C22H28Cl2N4O MolecularWeight: 435.38992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O.2ClH/c1-16(2)23-13-6-14-25-21(17-9-11-18(27-3)12-10-17)15-26-20-8-5-4-7-19(20)24-22(25)26;;/h4-5,7-12,15-16,23H,6,13-14H2,1-3H3;2*1H