1-[4-[4-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(1R)-3-(4-hydroxyphenyl)-1-methyl-propyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[(1R)-3-(4-hydroxyphenyl)-1-methyl-propyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)O)[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

C[C@H](CCC1=CC=C(C=C1)O)[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C22H28N2O2/c1-17(3-4-19-5-11-22(26)12-6-19)23-13-15-24(16-14-23)21-9-7-20(8-10-21)18(2)25/h5-12,17,26H,3-4,13-16H2,1-2H3/p+1/t17-/m1/s1