2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-ethyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]ethanamide

Systemtic Name: 2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-ethyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]ethanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-ethyl-N-[(3-fluoro-4-methoxy-phenyl)methyl]acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-ethyl-N-(3-fluoro-4-methoxy-benzyl)acetamide Formula: C24H31FN3O3+ MolecularWeight: 428.519643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30FN3O3/c1-4-27(16-19-5-10-23(31-3)22(25)15-19)24(30)17-26-11-13-28(14-12-26)21-8-6-20(7-9-21)18(2)29/h5-10,15H,4,11-14,16-17H2,1-3H3/p+1