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

Systemtic Name: 2-[1-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)-4-(2-methoxyethanoyl)-1-[(4-methoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-4-(2-methoxyacetyl)-1-[(4-methoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(1-imidazolyl)-6-propan-2-yl-4-pyrimidinyl]-4-(2-methoxy-1-oxoethyl)-1-[(4-methoxyphenyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-4-(2-methoxyacetyl)-1-[(4-methoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-4-(2-methoxyacetyl)-1-p-anisyl-piperazin-1-ium-2-yl]acetamide Formula: C27H36N7O4+ MolecularWeight: 522.61924

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N7O4/c1-19(2)23-14-25(31-27(30-23)33-10-9-29-18-33)34(16-20-5-7-22(38-4)8-6-20)12-11-32(26(36)17-37-3)15-21(34)13-24(28)35/h5-10,14,18-19,21H,11-13,15-17H2,1-4H3,(H-,28,35)/p+1