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

Systemtic Name: 2-[4-butyl-1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[4-butyl-1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide CAS Name: 2-[4-butyl-1-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-1-[(4-methoxyphenyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-butyl-1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[4-butyl-1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-p-anisyl-piperazin-1-ium-2-yl]acetamide Formula: C25H33ClN7O2+ MolecularWeight: 499.02822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC[N+](C(C1)CC(=O)N)(CC2=CC=C(C=C2)OC)C3=CC(=NC(=N3)N4C=CN=C4)Cl

Isomeric SMILES

CCCCN1CC[N+](C(C1)CC(=O)N)(CC2=CC=C(C=C2)OC)C3=CC(=NC(=N3)N4C=CN=C4)Cl

InChI

InChI=1S/C25H32ClN7O2/c1-3-4-10-31-12-13-33(20(16-31)14-23(27)34,17-19-5-7-21(35-2)8-6-19)24-15-22(26)29-25(30-24)32-11-9-28-18-32/h5-9,11,15,18,20H,3-4,10,12-14,16-17H2,1-2H3,(H-,27,34)/p+1