(2S)-N-ethyl-2-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-phenyl-propanamide

Systemtic Name: (2S)-N-ethyl-2-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-phenyl-propanamide Openeye Name: (2S)-N-ethyl-2-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-phenyl-propanamide CAS Name: (2S)-N-ethyl-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-phenylpropanamide IUPAC Name: (2S)-N-ethyl-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-phenylpropanamide Traditional Name: (2S)-N-ethyl-2-[4-(5-fluoro-2-methoxy-benzyl)piperazine-1,4-diium-1-yl]-N-phenyl-propionamide Formula: C23H32FN3O2+2 MolecularWeight: 401.517483

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C(C)[NH+]2CC[NH+](CC2)CC3=C(C=CC(=C3)F)OC

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)[C@H](C)[NH+]2CC[NH+](CC2)CC3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C23H30FN3O2/c1-4-27(21-8-6-5-7-9-21)23(28)18(2)26-14-12-25(13-15-26)17-19-16-20(24)10-11-22(19)29-3/h5-11,16,18H,4,12-15,17H2,1-3H3/p+2/t18-/m0/s1