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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C[NH+]2CCCC(C2)C3=NC4=CC=CC=C4N3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C[NH+]2CCC[C@H](C2)C3=NC4=CC=CC=C4N3)OC

InChI

InChI=1S/C21H25N3O2/c1-25-17-10-15(11-18(12-17)26-2)13-24-9-5-6-16(14-24)21-22-19-7-3-4-8-20(19)23-21/h3-4,7-8,10-12,16H,5-6,9,13-14H2,1-2H3,(H,22,23)/p+1/t16-/m1/s1