2-[1-(furan-2-ylmethyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-(furan-2-ylmethyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(2-furylmethyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-(2-furanylmethyl)-1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-(furan-2-ylmethyl)-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-furfuryl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Formula: C20H25N6O2+ MolecularWeight: 381.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCCCC3CC(=O)N)CC4=CC=CO4

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCCCC3CC(=O)N)CC4=CC=CO4

InChI

InChI=1S/C20H24N6O2/c1-15-11-19(24-20(23-15)25-8-7-22-14-25)26(13-17-6-4-10-28-17)9-3-2-5-16(26)12-18(21)27/h4,6-8,10-11,14,16H,2-3,5,9,12-13H2,1H3,(H-,21,27)/p+1