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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[N+]2(CCC(C2)CC(=O)N)C3=NC(=NC=C3)N4C=CN=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[N+]2(CCC(C2)CC(=O)N)C3=NC(=NC=C3)N4C=CN=C4)OC

InChI

InChI=1S/C23H28N6O3/c1-31-19-4-3-17(13-20(19)32-2)6-11-29(12-7-18(15-29)14-21(24)30)22-5-8-26-23(27-22)28-10-9-25-16-28/h3-5,8-10,13,16,18H,6-7,11-12,14-15H2,1-2H3,(H-,24,30)/p+1