1-[4-[(2S)-3-(4-methylphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 1-[4-[(2S)-3-(4-methylphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]piperazin-4-ium-1-yl]ethanone Formula: C16H25N2O3+ MolecularWeight: 293.3813

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(C[NH+]2CCN(CC2)C(=O)C)O

Isomeric SMILES

CC1=CC=C(C=C1)OC[C@H](C[NH+]2CCN(CC2)C(=O)C)O

InChI

InChI=1S/C16H24N2O3/c1-13-3-5-16(6-4-13)21-12-15(20)11-17-7-9-18(10-8-17)14(2)19/h3-6,15,20H,7-12H2,1-2H3/p+1/t15-/m0/s1