2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-1-ium-2-yl]ethanamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[N+]2(CCCC2CC(=O)N)C3=NC(=NC=C3)N4C=CN=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[N+]2(CCCC2CC(=O)N)C3=NC(=NC=C3)N4C=CN=C4)OC

InChI

InChI=1S/C23H28N6O3/c1-31-19-6-5-17(14-20(19)32-2)8-13-29(12-3-4-18(29)15-21(24)30)22-7-9-26-23(27-22)28-11-10-25-16-28/h5-7,9-11,14,16,18H,3-4,8,12-13,15H2,1-2H3,(H-,24,30)/p+1