N-ethyl-N-[(3-fluorophenyl)methyl]-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-ethyl-N-[(3-fluorophenyl)methyl]-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-ethyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N-ethyl-N-[(3-fluorophenyl)methyl]-2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-ethyl-N-[(3-fluorophenyl)methyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-ethyl-N-(3-fluorobenzyl)-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Formula: C23H33FN5O+ MolecularWeight: 414.539423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32FN5O/c1-5-28(15-19-7-6-8-20(24)14-19)22(30)16-27-9-11-29(12-10-27)21-13-18(4)25-23(26-21)17(2)3/h6-8,13-14,17H,5,9-12,15-16H2,1-4H3/p+1