N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Formula: C22H31ClN5O+ MolecularWeight: 416.96744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)C[NH+]2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)C[NH+]2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C)C

InChI

InChI=1S/C22H30ClN5O/c1-14(2)22-24-17(5)12-19(25-22)28-8-6-27(7-9-28)13-20(29)26-21-16(4)10-15(3)11-18(21)23/h10-12,14H,6-9,13H2,1-5H3,(H,26,29)/p+1