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

Systemtic Name: N-ethyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-ethyl-N-[(3-fluoro-4-methoxy-phenyl)methyl]-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-ethyl-N-(3-fluoro-4-methoxy-benzyl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide Formula: C23H31FN3O2+ MolecularWeight: 400.509543

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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=CC=C3C

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)F)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3C

InChI

InChI=1S/C23H30FN3O2/c1-4-26(16-19-9-10-22(29-3)20(24)15-19)23(28)17-25-11-13-27(14-12-25)21-8-6-5-7-18(21)2/h5-10,15H,4,11-14,16-17H2,1-3H3/p+1