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

Systemtic Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[[3-(1-pyrazolyl)phenyl]methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-ethoxybenzyl)-4-(3-pyrazol-1-ylbenzyl)piperazin-4-ium-2-yl]ethanol Formula: C25H33N4O2+ MolecularWeight: 421.55512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CC[NH+](CC2CCO)CC3=CC(=CC=C3)N4C=CC=N4

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CC(=CC=C3)N4C=CC=N4

InChI

InChI=1S/C25H32N4O2/c1-2-31-25-9-7-21(8-10-25)19-28-15-14-27(20-24(28)11-16-30)18-22-5-3-6-23(17-22)29-13-4-12-26-29/h3-10,12-13,17,24,30H,2,11,14-16,18-20H2,1H3/p+1/t24-/m0/s1