2-[2-[(2,5-dimethoxyphenyl)methylamino]-3H-benzimidazol-1-ium-1-yl]ethyl-diethyl-azanium dichloride

Systemtic Name: 2-[2-[(2,5-dimethoxyphenyl)methylamino]-3H-benzimidazol-1-ium-1-yl]ethyl-diethyl-azanium dichloride Openeye Name: 2-[2-[(2,5-dimethoxyphenyl)methylamino]-3H-benzimidazol-1-ium-1-yl]ethyl-diethyl-ammonium dichloride CAS Name: 2-[2-[(2,5-dimethoxyphenyl)methylamino]-3H-benzimidazol-1-ium-1-yl]ethyl-diethylammonium dichloride IUPAC Name: 2-[2-[(2,5-dimethoxyphenyl)methylamino]-3H-benzimidazol-1-ium-1-yl]ethyl-diethylazanium dichloride Traditional Name: 2-[2-[(2,5-dimethoxybenzyl)amino]-3H-benzimidazol-1-ium-1-yl]ethyl-diethyl-ammonium dichloride Formula: C22H32Cl2N4O2 MolecularWeight: 455.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC[N+]1=C(NC2=CC=CC=C21)NCC3=C(C=CC(=C3)OC)OC.[Cl-].[Cl-]

Isomeric SMILES

CC[NH+](CC)CC[N+]1=C(NC2=CC=CC=C21)NCC3=C(C=CC(=C3)OC)OC.[Cl-].[Cl-]

InChI

InChI=1S/C22H30N4O2.2ClH/c1-5-25(6-2)13-14-26-20-10-8-7-9-19(20)24-22(26)23-16-17-15-18(27-3)11-12-21(17)28-4;;/h7-12,15H,5-6,13-14,16H2,1-4H3,(H,23,24);2*1H