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

Systemtic Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)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-pyridylmethyl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-[(4-methoxyphenyl)methyl]-4-(3-pyridinylmethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-p-anisyl-4-(3-pyridylmethyl)piperazin-1-ium-2-yl]acetamide Formula: C28H33N8O2+ MolecularWeight: 513.61402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCN(CC3CC(=O)N)CC4=CN=CC=C4)CC5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCN(CC3CC(=O)N)CC4=CN=CC=C4)CC5=CC=C(C=C5)OC

InChI

InChI=1S/C28H32N8O2/c1-21-14-27(33-28(32-21)35-11-10-31-20-35)36(19-22-5-7-25(38-2)8-6-22)13-12-34(18-24(36)15-26(29)37)17-23-4-3-9-30-16-23/h3-11,14,16,20,24H,12-13,15,17-19H2,1-2H3,(H-,29,37)/p+1