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

Systemtic Name: N-[(2-fluorophenyl)methyl]-N-methyl-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(2-fluorophenyl)methyl]-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: N-[(2-fluorophenyl)methyl]-N-methyl-2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2-fluorophenyl)methyl]-N-methyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-fluorobenzyl)-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C22H31FN5O+ MolecularWeight: 400.512843

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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=CC=CC=C3F

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CC[NH+](CC2)CC(=O)N(C)CC3=CC=CC=C3F

InChI

InChI=1S/C22H30FN5O/c1-16(2)22-24-17(3)13-20(25-22)28-11-9-27(10-12-28)15-21(29)26(4)14-18-7-5-6-8-19(18)23/h5-8,13,16H,9-12,14-15H2,1-4H3/p+1