2-[1-[2-(3-bromanyl-4-methoxy-phenyl)ethyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-[2-(3-bromanyl-4-methoxy-phenyl)ethyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-[2-(3-bromo-4-methoxy-phenyl)ethyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(3-bromo-4-methoxyphenyl)ethyl]-1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-[2-(3-bromo-4-methoxyphenyl)ethyl]-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-[2-(3-bromo-4-methoxy-phenyl)ethyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Formula: C24H30BrN6O2+ MolecularWeight: 514.438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCCCC3CC(=O)N)CCC4=CC(=C(C=C4)OC)Br

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCCCC3CC(=O)N)CCC4=CC(=C(C=C4)OC)Br

InChI

InChI=1S/C24H29BrN6O2/c1-17-13-23(29-24(28-17)30-10-9-27-16-30)31(11-4-3-5-19(31)15-22(26)32)12-8-18-6-7-21(33-2)20(25)14-18/h6-7,9-10,13-14,16,19H,3-5,8,11-12,15H2,1-2H3,(H-,26,32)/p+1