2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]-4-(3-methylbutanoyl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]-4-(3-methylbutanoyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]-4-(3-methylbutanoyl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-[(4-methoxyphenyl)methyl]-4-(3-methyl-1-oxobutyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]-4-(3-methylbutanoyl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-isovaleryl-1-p-anisyl-piperazin-1-ium-2-yl]acetamide Formula: C27H36N7O3+ MolecularWeight: 506.61984

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N7O3/c1-19(2)13-26(36)32-11-12-34(22(16-32)15-24(28)35,17-21-5-7-23(37-4)8-6-21)25-14-20(3)30-27(31-25)33-10-9-29-18-33/h5-10,14,18-19,22H,11-13,15-17H2,1-4H3,(H-,28,35)/p+1