2-[1-[(3,4-dimethoxyphenyl)methyl]-4-ethanoyl-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-4-ethanoyl-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[4-acetyl-1-[(3,4-dimethoxyphenyl)methyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[4-acetyl-1-[(3,4-dimethoxyphenyl)methyl]-1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-acetyl-1-[(3,4-dimethoxyphenyl)methyl]-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[4-acetyl-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-veratryl-piperazin-1-ium-2-yl]acetamide Formula: C25H32N7O4+ MolecularWeight: 494.56608

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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)CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCN(CC3CC(=O)N)C(=O)C)CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H31N7O4/c1-17-11-24(29-25(28-17)31-8-7-27-16-31)32(15-19-5-6-21(35-3)22(12-19)36-4)10-9-30(18(2)33)14-20(32)13-23(26)34/h5-8,11-12,16,20H,9-10,13-15H2,1-4H3,(H-,26,34)/p+1