(2R)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-phenethyl-propanamide

Systemtic Name: (2R)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-phenethyl-propanamide Openeye Name: (2R)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-phenethyl-propanamide CAS Name: (2R)-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-N-phenethylpropanamide IUPAC Name: (2R)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-phenethylpropanamide Traditional Name: (2R)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-phenethyl-propionamide Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)[NH+]2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

C[C@H](C(=O)NCCC1=CC=CC=C1)[NH+]2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C21H27N3O2/c1-17(21(26)22-12-11-18-7-3-2-4-8-18)23-13-15-24(16-14-23)19-9-5-6-10-20(19)25/h2-10,17,25H,11-16H2,1H3,(H,22,26)/p+1/t17-/m1/s1