2-[(2S)-1-[(4-methoxy-3-methyl-phenyl)methyl]-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(4-methoxy-3-methyl-phenyl)methyl]-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(4-methoxy-3-methyl-phenyl)methyl]-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-methoxy-3-methyl-benzyl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C25H33N4O2+ MolecularWeight: 421.55512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CN2CC[NH+](CC2CCO)CC3=C(NN=C3)C4=CC=CC=C4)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=C(NN=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H32N4O2/c1-19-14-20(8-9-24(19)31-2)16-29-12-11-28(18-23(29)10-13-30)17-22-15-26-27-25(22)21-6-4-3-5-7-21/h3-9,14-15,23,30H,10-13,16-18H2,1-2H3,(H,26,27)/p+1/t23-/m0/s1