N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-cyclohexyl-N-(4-fluorobenzyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C23H31FN5O+ MolecularWeight: 412.523543

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CC2=CC=C(C=C2)F)C(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CCC(CC1)N(CC2=CC=C(C=C2)F)C(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C23H30FN5O/c24-20-9-7-19(8-10-20)17-29(21-5-2-1-3-6-21)22(30)18-27-13-15-28(16-14-27)23-25-11-4-12-26-23/h4,7-12,21H,1-3,5-6,13-18H2/p+1