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

Systemtic Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(2-phenylpropyl)piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(2-phenylpropyl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-(2-phenylpropyl)-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-(2-phenylpropyl)piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(2-phenylpropyl)piperidin-1-ium-2-yl]acetamide Formula: C24H31N6O+ MolecularWeight: 419.54254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N6O/c1-18(20-8-4-3-5-9-20)16-30(13-7-6-10-21(30)15-22(25)31)23-14-19(2)27-24(28-23)29-12-11-26-17-29/h3-5,8-9,11-12,14,17-18,21H,6-7,10,13,15-16H2,1-2H3,(H-,25,31)/p+1