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

Systemtic Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-[(4-nitrophenyl)methyl]piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-[(4-nitrophenyl)methyl]piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-[(4-nitrophenyl)methyl]-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-[(4-nitrophenyl)methyl]piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(4-nitrobenzyl)piperidin-1-ium-2-yl]acetamide Formula: C22H26N7O3+ MolecularWeight: 436.48694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCCCC3CC(=O)N)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCCCC3CC(=O)N)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N7O3/c1-16-12-21(26-22(25-16)27-10-9-24-15-27)29(11-3-2-4-19(29)13-20(23)30)14-17-5-7-18(8-6-17)28(31)32/h5-10,12,15,19H,2-4,11,13-14H2,1H3,(H-,23,30)/p+1