3-[(3R)-1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide

Systemtic Name: 3-[(3R)-1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide Openeye Name: 3-[(3R)-1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide CAS Name: 3-[(3R)-1-(1H-benzimidazol-2-ylmethyl)-3-piperidin-1-iumyl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide IUPAC Name: 3-[(3R)-1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide Traditional Name: 3-[(3R)-1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-3-yl]-N-(2,4-dimethoxybenzyl)propionamide Formula: C25H33N4O3+ MolecularWeight: 437.55452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNC(=O)CCC2CCC[NH+](C2)CC3=NC4=CC=CC=C4N3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CNC(=O)CC[C@H]2CCC[NH+](C2)CC3=NC4=CC=CC=C4N3)OC

InChI

InChI=1S/C25H32N4O3/c1-31-20-11-10-19(23(14-20)32-2)15-26-25(30)12-9-18-6-5-13-29(16-18)17-24-27-21-7-3-4-8-22(21)28-24/h3-4,7-8,10-11,14,18H,5-6,9,12-13,15-17H2,1-2H3,(H,26,30)(H,27,28)/p+1/t18-/m1/s1