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

Systemtic Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(2-ethoxybenzyl)-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:

CCOC1=CC=CC=C1CN2CC[NH+](CC2CCO)CC3=C(NN=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1CN2CC[NH+](C[C@@H]2CCO)CC3=C(NN=C3)C4=CC=CC=C4

InChI

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