2-[4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1,1-bis[(4-methoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1,1-bis[(4-methoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1,1-bis[(4-methoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide CAS Name: 2-[4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-1,1-bis[(4-methoxyphenyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1,1-bis[(4-methoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1,1-bis(p-anisyl)piperazin-1-ium-2-yl]acetamide Formula: C29H33ClN7O3+ MolecularWeight: 563.07042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[N+]2(CCN(CC2CC(=O)N)C3=CC(=NC(=N3)N4C=CN=C4)Cl)CC5=CC=C(C=C5)OC

Isomeric SMILES

COC1=CC=C(C=C1)C[N+]2(CCN(CC2CC(=O)N)C3=CC(=NC(=N3)N4C=CN=C4)Cl)CC5=CC=C(C=C5)OC

InChI

InChI=1S/C29H32ClN7O3/c1-39-24-7-3-21(4-8-24)18-37(19-22-5-9-25(40-2)10-6-22)14-13-35(17-23(37)15-27(31)38)28-16-26(30)33-29(34-28)36-12-11-32-20-36/h3-12,16,20,23H,13-15,17-19H2,1-2H3,(H-,31,38)/p+1