2-(4-methylphenyl)-3-(2-pyrrolidin-1-ium-1-ylethyl)-4H-imidazo[1,2-a]benzimidazol-9-ium dichloride

Systemtic Name: 2-(4-methylphenyl)-3-(2-pyrrolidin-1-ium-1-ylethyl)-4H-imidazo[1,2-a]benzimidazol-9-ium dichloride Openeye Name: 2-(p-tolyl)-3-(2-pyrrolidin-1-ium-1-ylethyl)-4H-imidazo[1,2-a]benzimidazol-9-ium dichloride CAS Name: 2-(4-methylphenyl)-3-[2-(1-pyrrolidin-1-iumyl)ethyl]-4H-imidazo[1,2-a]benzimidazol-9-ium dichloride IUPAC Name: 2-(4-methylphenyl)-3-(2-pyrrolidin-1-ium-1-ylethyl)-4H-imidazo[1,2-a]benzimidazol-9-ium dichloride Traditional Name: 2-(p-tolyl)-3-(2-pyrrolidin-1-ium-1-ylethyl)-4H-imidazo[1,2-a]benzimidazol-9-ium dichloride Formula: C22H26Cl2N4 MolecularWeight: 417.37464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C[N+]3=C(N2CC[NH+]4CCCC4)NC5=CC=CC=C53.[Cl-].[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C[N+]3=C(N2CC[NH+]4CCCC4)NC5=CC=CC=C53.[Cl-].[Cl-]

InChI

InChI=1S/C22H24N4.2ClH/c1-17-8-10-18(11-9-17)21-16-26-20-7-3-2-6-19(20)23-22(26)25(21)15-14-24-12-4-5-13-24;;/h2-3,6-11,16H,4-5,12-15H2,1H3;2*1H