N-[(2,5-dimethoxyphenyl)methyl]-3-(2-morpholin-4-ium-4-ylethyl)-1H-benzimidazol-3-ium-2-amine dichloride

Systemtic Name: N-[(2,5-dimethoxyphenyl)methyl]-3-(2-morpholin-4-ium-4-ylethyl)-1H-benzimidazol-3-ium-2-amine dichloride Openeye Name: N-[(2,5-dimethoxyphenyl)methyl]-3-(2-morpholin-4-ium-4-ylethyl)-1H-benzimidazol-3-ium-2-amine dichloride CAS Name: N-[(2,5-dimethoxyphenyl)methyl]-3-[2-(4-morpholin-4-iumyl)ethyl]-1H-benzimidazol-3-ium-2-amine dichloride IUPAC Name: N-[(2,5-dimethoxyphenyl)methyl]-3-(2-morpholin-4-ium-4-ylethyl)-1H-benzimidazol-3-ium-2-amine dichloride Traditional Name: (2,5-dimethoxybenzyl)-[3-(2-morpholin-4-ium-4-ylethyl)-1H-benzimidazol-3-ium-2-yl]amine dichloride Formula: C22H30Cl2N4O3 MolecularWeight: 469.4046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CNC2=[N+](C3=CC=CC=C3N2)CC[NH+]4CCOCC4.[Cl-].[Cl-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CNC2=[N+](C3=CC=CC=C3N2)CC[NH+]4CCOCC4.[Cl-].[Cl-]

InChI

InChI=1S/C22H28N4O3.2ClH/c1-27-18-7-8-21(28-2)17(15-18)16-23-22-24-19-5-3-4-6-20(19)26(22)10-9-25-11-13-29-14-12-25;;/h3-8,15H,9-14,16H2,1-2H3,(H,23,24);2*1H