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

Systemtic Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-ethoxybenzyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C20H31N4O2+ MolecularWeight: 359.48574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O2/c1-3-26-20-6-4-17(5-7-20)13-24-10-9-23(15-19(24)8-11-25)14-18-12-16(2)21-22-18/h4-7,12,19,25H,3,8-11,13-15H2,1-2H3,(H,21,22)/p+1/t19-/m0/s1