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

Systemtic Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-pyrrolidin-1-iumyl]acetamide IUPAC Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-veratryl-pyrrolidin-1-ium-2-yl]acetamide Formula: C22H27N6O3+ MolecularWeight: 423.48818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N6O3/c1-30-18-6-5-16(12-19(18)31-2)14-28(11-3-4-17(28)13-20(23)29)21-7-8-25-22(26-21)27-10-9-24-15-27/h5-10,12,15,17H,3-4,11,13-14H2,1-2H3,(H-,23,29)/p+1