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

Systemtic Name: N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-methyl-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(2-chloro-6-fluoro-phenyl)methyl]-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chloro-6-fluoro-benzyl)-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C22H30ClFN5O+ MolecularWeight: 434.957903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CC[NH+](CC2)CC(=O)N(C)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CC[NH+](CC2)CC(=O)N(C)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C22H29ClFN5O/c1-15(2)22-25-16(3)12-20(26-22)29-10-8-28(9-11-29)14-21(30)27(4)13-17-18(23)6-5-7-19(17)24/h5-7,12,15H,8-11,13-14H2,1-4H3/p+1