2-[1-[(3-chloranyl-4-methoxy-phenyl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-[(3-chloranyl-4-methoxy-phenyl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-[(3-chloro-4-methoxy-phenyl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[(3-chloro-4-methoxyphenyl)methyl]-1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-pyrrolidin-1-iumyl]acetamide IUPAC Name: 2-[1-[(3-chloro-4-methoxyphenyl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(3-chloro-4-methoxy-benzyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-1-ium-2-yl]acetamide Formula: C21H24ClN6O2+ MolecularWeight: 427.90726

Click to see the large picture

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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN6O2/c1-30-18-5-4-15(11-17(18)22)13-28(10-2-3-16(28)12-19(23)29)20-6-7-25-21(26-20)27-9-8-24-14-27/h4-9,11,14,16H,2-3,10,12-13H2,1H3,(H-,23,29)/p+1