N-[3,4-bis(fluoranyl)phenyl]-3-(4-phenethylpiperazin-4-ium-1-yl)propanamide

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-3-(4-phenethylpiperazin-4-ium-1-yl)propanamide Openeye Name: N-(3,4-difluorophenyl)-3-(4-phenethylpiperazin-4-ium-1-yl)propanamide CAS Name: N-(3,4-difluorophenyl)-3-(4-phenethyl-1-piperazin-4-iumyl)propanamide IUPAC Name: N-(3,4-difluorophenyl)-3-(4-phenethylpiperazin-4-ium-1-yl)propanamide Traditional Name: N-(3,4-difluorophenyl)-3-(4-phenethylpiperazin-4-ium-1-yl)propionamide Formula: C21H26F2N3O+ MolecularWeight: 374.447446

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)CCC(=O)NC3=CC(=C(C=C3)F)F

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)CCC(=O)NC3=CC(=C(C=C3)F)F

InChI

InChI=1S/C21H25F2N3O/c22-19-7-6-18(16-20(19)23)24-21(27)9-11-26-14-12-25(13-15-26)10-8-17-4-2-1-3-5-17/h1-7,16H,8-15H2,(H,24,27)/p+1