2-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-1H-benzimidazole

Systemtic Name: 2-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-1H-benzimidazole Openeye Name: 2-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-1H-benzimidazole CAS Name: 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]-1H-benzimidazole IUPAC Name: 2-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-1H-benzimidazole Traditional Name: 2-[1-(3,5-dimethoxybenzyl)piperidin-1-ium-4-yl]-1H-benzimidazole Formula: C21H26N3O2+ MolecularWeight: 352.45004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4N3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4N3)OC

InChI

InChI=1S/C21H25N3O2/c1-25-17-11-15(12-18(13-17)26-2)14-24-9-7-16(8-10-24)21-22-19-5-3-4-6-20(19)23-21/h3-6,11-13,16H,7-10,14H2,1-2H3,(H,22,23)/p+1