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

Systemtic Name: 2-[4-butyl-1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-[(4-methylphenyl)methyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[4-butyl-1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-(p-tolylmethyl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[4-butyl-1-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-1-[(4-methylphenyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-butyl-1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-[(4-methylphenyl)methyl]piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[4-butyl-1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-(4-methylbenzyl)piperazin-1-ium-2-yl]acetamide Formula: C25H33ClN7O+ MolecularWeight: 483.02882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32ClN7O/c1-3-4-10-31-12-13-33(21(16-31)14-23(27)34,17-20-7-5-19(2)6-8-20)24-15-22(26)29-25(30-24)32-11-9-28-18-32/h5-9,11,15,18,21H,3-4,10,12-14,16-17H2,1-2H3,(H-,27,34)/p+1