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

Systemtic Name: 2-[(2S)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-4-(3-phenylprop-2-ynyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-4-(3-phenylprop-2-ynyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(3-phenylprop-2-ynyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(3-phenylprop-2-ynyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-methoxy-2,3-dimethyl-benzyl)-4-(3-phenylprop-2-ynyl)piperazin-1-ium-2-yl]ethanol Formula: C25H33N2O2+ MolecularWeight: 393.54172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)OC)C[NH+]2CCN(CC2CCO)CC#CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1C)OC)C[NH+]2CCN(C[C@@H]2CCO)CC#CC3=CC=CC=C3

InChI

InChI=1S/C25H32N2O2/c1-20-21(2)25(29-3)12-11-23(20)18-27-16-15-26(19-24(27)13-17-28)14-7-10-22-8-5-4-6-9-22/h4-6,8-9,11-12,24,28H,13-19H2,1-3H3/p+1/t24-/m0/s1