2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-ethyl-2-imidazol-1-yl-pyrimidin-4-yl)pyrrolidin-1-ium-3-yl]ethanamide

Systemtic Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-ethyl-2-imidazol-1-yl-pyrimidin-4-yl)pyrrolidin-1-ium-3-yl]ethanamide Openeye Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-ethyl-2-imidazol-1-yl-pyrimidin-4-yl)pyrrolidin-1-ium-3-yl]acetamide CAS Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[6-ethyl-2-(1-imidazolyl)-4-pyrimidinyl]-3-pyrrolidin-1-iumyl]acetamide IUPAC Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-ethyl-2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-1-ium-3-yl]acetamide Traditional Name: 2-[1-(6-ethyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-homoveratryl-pyrrolidin-1-ium-3-yl]acetamide Formula: C25H33N6O3+ MolecularWeight: 465.56792

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCC(C3)CC(=O)N)CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCC(C3)CC(=O)N)CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H32N6O3/c1-4-20-15-24(29-25(28-20)30-10-9-27-17-30)31(12-8-19(16-31)14-23(26)32)11-7-18-5-6-21(33-2)22(13-18)34-3/h5-6,9-10,13,15,17,19H,4,7-8,11-12,14,16H2,1-3H3,(H-,26,32)/p+1