2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(3-phenylpropyl)piperidin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(3-phenylpropyl)piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(3-phenylpropyl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-(3-phenylpropyl)-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-(3-phenylpropyl)piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(3-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)CCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCCCC3CC(=O)N)CCCC4=CC=CC=C4

InChI

InChI=1S/C24H30N6O/c1-19-16-23(28-24(27-19)29-13-12-26-18-29)30(14-6-5-11-21(30)17-22(25)31)15-7-10-20-8-3-2-4-9-20/h2-4,8-9,12-13,16,18,21H,5-7,10-11,14-15,17H2,1H3,(H-,25,31)/p+1