2-[1-[(3,5-dimethoxyphenyl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-[(3,5-dimethoxyphenyl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-[(3,5-dimethoxyphenyl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[(3,5-dimethoxyphenyl)methyl]-1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-[(3,5-dimethoxyphenyl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(3,5-dimethoxybenzyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Formula: C23H29N6O3+ MolecularWeight: 437.51476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C[N+]2(CCCCC2CC(=O)N)C3=NC(=NC=C3)N4C=CN=C4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C[N+]2(CCCCC2CC(=O)N)C3=NC(=NC=C3)N4C=CN=C4)OC

InChI

InChI=1S/C23H28N6O3/c1-31-19-11-17(12-20(14-19)32-2)15-29(10-4-3-5-18(29)13-21(24)30)22-6-7-26-23(27-22)28-9-8-25-16-28/h6-9,11-12,14,16,18H,3-5,10,13,15H2,1-2H3,(H-,24,30)/p+1