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

Systemtic Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-ethyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]ethanamide Openeye Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-ethyl-N-[(3-fluoro-4-methoxy-phenyl)methyl]acetamide CAS Name: 2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide IUPAC Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide Traditional Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-ethyl-N-(3-fluoro-4-methoxy-benzyl)acetamide Formula: C24H33FN3O2+ MolecularWeight: 414.536123

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C24H32FN3O2/c1-5-27(16-20-9-10-23(30-4)21(25)15-20)24(29)17-26-11-13-28(14-12-26)22-8-6-7-18(2)19(22)3/h6-10,15H,5,11-14,16-17H2,1-4H3/p+1