2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-(3-phenylprop-2-ynyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-(3-phenylprop-2-ynyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-(3-phenylprop-2-ynyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-(3-phenylprop-2-ynyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-(3-phenylprop-2-ynyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-m-anisyl-4-(3-phenylprop-2-ynyl)piperazin-1-ium-2-yl]ethanol Formula: C23H29N2O2+ MolecularWeight: 365.48856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCN(CC2CCO)CC#CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCN(C[C@@H]2CCO)CC#CC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O2/c1-27-23-11-5-9-21(17-23)18-25-15-14-24(19-22(25)12-16-26)13-6-10-20-7-3-2-4-8-20/h2-5,7-9,11,17,22,26H,12-16,18-19H2,1H3/p+1/t22-/m0/s1