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

Systemtic Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-(3-phenylprop-2-ynyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-(3-phenylprop-2-ynyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-(3-phenylprop-2-ynyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-(3-phenylprop-2-ynyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-ethoxybenzyl)-4-(3-phenylprop-2-ynyl)piperazin-1-ium-2-yl]ethanol Formula: C24H31N2O2+ MolecularWeight: 379.51514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2CCO)CC#CC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCN(C[C@@H]2CCO)CC#CC3=CC=CC=C3

InChI

InChI=1S/C24H30N2O2/c1-2-28-24-12-10-22(11-13-24)19-26-17-16-25(20-23(26)14-18-27)15-6-9-21-7-4-3-5-8-21/h3-5,7-8,10-13,23,27H,2,14-20H2,1H3/p+1/t23-/m0/s1