3-propyl-N-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-3-ium-2-amine chloride

Systemtic Name: 3-propyl-N-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-3-ium-2-amine chloride Openeye Name: 3-propyl-N-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-3-ium-2-amine chloride CAS Name: 3-propyl-N-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-3-ium-2-amine chloride IUPAC Name: 3-propyl-N-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-3-ium-2-amine chloride Traditional Name: (3-propyl-1H-benzimidazol-3-ium-2-yl)-(3,4,5-trimethoxybenzyl)amine chloride Formula: C20H26ClN3O3 MolecularWeight: 391.89174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3.ClH/c1-5-10-23-16-9-7-6-8-15(16)22-20(23)21-13-14-11-17(24-2)19(26-4)18(12-14)25-3;/h6-9,11-12H,5,10,13H2,1-4H3,(H,21,22);1H