2-[1-[(3-chloranyl-4-methoxy-phenyl)methyl]-4-ethanoyl-1-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-[(3-chloranyl-4-methoxy-phenyl)methyl]-4-ethanoyl-1-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[4-acetyl-1-[(3-chloro-4-methoxy-phenyl)methyl]-1-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[4-acetyl-1-[(3-chloro-4-methoxyphenyl)methyl]-1-[2-(1-imidazolyl)-6-propan-2-yl-4-pyrimidinyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-acetyl-1-[(3-chloro-4-methoxyphenyl)methyl]-1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[4-acetyl-1-(3-chloro-4-methoxy-benzyl)-1-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)piperazin-1-ium-2-yl]acetamide Formula: C26H33ClN7O3+ MolecularWeight: 527.03832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCN(CC3CC(=O)N)C(=O)C)CC4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCN(CC3CC(=O)N)C(=O)C)CC4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C26H32ClN7O3/c1-17(2)22-13-25(31-26(30-22)33-8-7-29-16-33)34(15-19-5-6-23(37-4)21(27)11-19)10-9-32(18(3)35)14-20(34)12-24(28)36/h5-8,11,13,16-17,20H,9-10,12,14-15H2,1-4H3,(H-,28,36)/p+1