2-[2-[(3,4-dimethoxyphenyl)methyl]-3H-benzimidazol-1-ium-1-yl]ethyl-diethyl-azanium dichloride

Systemtic Name: 2-[2-[(3,4-dimethoxyphenyl)methyl]-3H-benzimidazol-1-ium-1-yl]ethyl-diethyl-azanium dichloride Openeye Name: 2-[2-[(3,4-dimethoxyphenyl)methyl]-3H-benzimidazol-1-ium-1-yl]ethyl-diethyl-ammonium dichloride CAS Name: 2-[2-[(3,4-dimethoxyphenyl)methyl]-3H-benzimidazol-1-ium-1-yl]ethyl-diethylammonium dichloride IUPAC Name: 2-[2-[(3,4-dimethoxyphenyl)methyl]-3H-benzimidazol-1-ium-1-yl]ethyl-diethylazanium dichloride Traditional Name: diethyl-[2-(2-veratryl-3H-benzimidazol-1-ium-1-yl)ethyl]ammonium dichloride Formula: C22H31Cl2N3O2 MolecularWeight: 440.40644

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC[N+]1=C(NC2=CC=CC=C21)CC3=CC(=C(C=C3)OC)OC.[Cl-].[Cl-]

Isomeric SMILES

CC[NH+](CC)CC[N+]1=C(NC2=CC=CC=C21)CC3=CC(=C(C=C3)OC)OC.[Cl-].[Cl-]

InChI

InChI=1S/C22H29N3O2.2ClH/c1-5-24(6-2)13-14-25-19-10-8-7-9-18(19)23-22(25)16-17-11-12-20(26-3)21(15-17)27-4;;/h7-12,15H,5-6,13-14,16H2,1-4H3;2*1H