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

Systemtic Name: 2-[2-[(2-chlorophenyl)methylamino]-3H-benzimidazol-1-ium-1-yl]ethyl-diethyl-azanium dichloride Openeye Name: 2-[2-[(2-chlorophenyl)methylamino]-3H-benzimidazol-1-ium-1-yl]ethyl-diethyl-ammonium dichloride CAS Name: 2-[2-[(2-chlorophenyl)methylamino]-3H-benzimidazol-1-ium-1-yl]ethyl-diethylammonium dichloride IUPAC Name: 2-[2-[(2-chlorophenyl)methylamino]-3H-benzimidazol-1-ium-1-yl]ethyl-diethylazanium dichloride Traditional Name: 2-[2-[(2-chlorobenzyl)amino]-3H-benzimidazol-1-ium-1-yl]ethyl-diethyl-ammonium dichloride Formula: C20H27Cl3N4 MolecularWeight: 429.81418

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC[N+]1=C(NC2=CC=CC=C21)NCC3=CC=CC=C3Cl.[Cl-].[Cl-]

Isomeric SMILES

CC[NH+](CC)CC[N+]1=C(NC2=CC=CC=C21)NCC3=CC=CC=C3Cl.[Cl-].[Cl-]

InChI

InChI=1S/C20H25ClN4.2ClH/c1-3-24(4-2)13-14-25-19-12-8-7-11-18(19)23-20(25)22-15-16-9-5-6-10-17(16)21;;/h5-12H,3-4,13-15H2,1-2H3,(H,22,23);2*1H