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

Systemtic Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethanoyl-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[4-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[4-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[4-acetyl-1-homoveratryl-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-2-yl]acetamide Formula: C26H34N7O4+ MolecularWeight: 508.59266

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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)CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCN(CC3CC(=O)N)C(=O)C)CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H33N7O4/c1-18-13-25(30-26(29-18)32-9-8-28-17-32)33(11-7-20-5-6-22(36-3)23(14-20)37-4)12-10-31(19(2)34)16-21(33)15-24(27)35/h5-6,8-9,13-14,17,21H,7,10-12,15-16H2,1-4H3,(H-,27,35)/p+1