2-[4-ethanoyl-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-[1-(4-methoxyphenyl)ethyl]piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[4-ethanoyl-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-[1-(4-methoxyphenyl)ethyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[4-acetyl-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-[1-(4-methoxyphenyl)ethyl]piperazin-1-ium-2-yl]acetamide CAS Name: 2-[4-acetyl-1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-[1-(4-methoxyphenyl)ethyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-acetyl-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-[1-(4-methoxyphenyl)ethyl]piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[4-acetyl-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-[1-(4-methoxyphenyl)ethyl]piperazin-1-ium-2-yl]acetamide Formula: C25H32N7O3+ MolecularWeight: 478.56668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCN(CC3CC(=O)N)C(=O)C)C(C)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCN(CC3CC(=O)N)C(=O)C)C(C)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H31N7O3/c1-17-13-24(29-25(28-17)31-10-9-27-16-31)32(18(2)20-5-7-22(35-4)8-6-20)12-11-30(19(3)33)15-21(32)14-23(26)34/h5-10,13,16,18,21H,11-12,14-15H2,1-4H3,(H-,26,34)/p+1