(2S)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C13H20N3O2+ MolecularWeight: 250.3168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)[NH+]1CCN(CC1)C2=CC=C(C=C2)O

Isomeric SMILES

C[C@@H](C(=O)N)[NH+]1CCN(CC1)C2=CC=C(C=C2)O

InChI

InChI=1S/C13H19N3O2/c1-10(13(14)18)15-6-8-16(9-7-15)11-2-4-12(17)5-3-11/h2-5,10,17H,6-9H2,1H3,(H2,14,18)/p+1/t10-/m0/s1