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

Systemtic Name: 2-[(2S)-1-[(4-methoxy-3-methyl-phenyl)methyl]-4-(3-phenylprop-2-ynyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(4-methoxy-3-methyl-phenyl)methyl]-4-(3-phenylprop-2-ynyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-(3-phenylprop-2-ynyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-(3-phenylprop-2-ynyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-methoxy-3-methyl-benzyl)-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:

CC1=C(C=CC(=C1)C[NH+]2CCN(CC2CCO)CC#CC3=CC=CC=C3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C[NH+]2CCN(C[C@@H]2CCO)CC#CC3=CC=CC=C3)OC

InChI

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