(2S)-N-(4-fluorophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]butanamide

Systemtic Name: (2S)-N-(4-fluorophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]butanamide Openeye Name: (2S)-N-(4-fluorophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]butanamide CAS Name: (2S)-N-(4-fluorophenyl)-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]butanamide IUPAC Name: (2S)-N-(4-fluorophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]butanamide Traditional Name: (2S)-N-(4-fluorophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]butyramide Formula: C20H25FN3O2+ MolecularWeight: 358.429803

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)F)[NH+]2CCN(CC2)C3=CC=C(C=C3)O

Isomeric SMILES

CC[C@@H](C(=O)NC1=CC=C(C=C1)F)[NH+]2CCN(CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C20H24FN3O2/c1-2-19(20(26)22-16-5-3-15(21)4-6-16)24-13-11-23(12-14-24)17-7-9-18(25)10-8-17/h3-10,19,25H,2,11-14H2,1H3,(H,22,26)/p+1/t19-/m0/s1