2-[1-[2-(3-bromanyl-4-methoxy-phenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-[2-(3-bromanyl-4-methoxy-phenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-[2-(3-bromo-4-methoxy-phenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(3-bromo-4-methoxyphenyl)ethyl]-1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-[2-(3-bromo-4-methoxyphenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-[2-(3-bromo-4-methoxy-phenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Formula: C23H28BrN6O2+ MolecularWeight: 500.41142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[N+]2(CCCCC2CC(=O)N)C3=NC(=NC=C3)N4C=CN=C4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CC[N+]2(CCCCC2CC(=O)N)C3=NC(=NC=C3)N4C=CN=C4)Br

InChI

InChI=1S/C23H27BrN6O2/c1-32-20-6-5-17(14-19(20)24)8-13-30(12-3-2-4-18(30)15-21(25)31)22-7-9-27-23(28-22)29-11-10-26-16-29/h5-7,9-11,14,16,18H,2-4,8,12-13,15H2,1H3,(H-,25,31)/p+1