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

Systemtic Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(4-phenylbutan-2-yl)piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(1-methyl-3-phenyl-propyl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-(4-phenylbutan-2-yl)-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-(4-phenylbutan-2-yl)piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(1-methyl-3-phenyl-propyl)piperidin-1-ium-2-yl]acetamide Formula: C25H33N6O+ MolecularWeight: 433.56912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N6O/c1-19-16-24(29-25(28-19)30-14-13-27-18-30)31(15-7-6-10-22(31)17-23(26)32)20(2)11-12-21-8-4-3-5-9-21/h3-5,8-9,13-14,16,18,20,22H,6-7,10-12,15,17H2,1-2H3,(H-,26,32)/p+1