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

Systemtic Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(1H-pyrazol-5-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(1H-pyrazol-5-ylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(1H-pyrazol-5-ylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(1H-pyrazol-5-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(2-ethoxybenzyl)-4-(1H-pyrazol-5-ylmethyl)piperazin-4-ium-2-yl]ethanol Formula: C19H29N4O2+ MolecularWeight: 345.45916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CN2CC[NH+](CC2CCO)CC3=CC=NN3

Isomeric SMILES

CCOC1=CC=CC=C1CN2CC[NH+](C[C@@H]2CCO)CC3=CC=NN3

InChI

InChI=1S/C19H28N4O2/c1-2-25-19-6-4-3-5-16(19)13-23-11-10-22(15-18(23)8-12-24)14-17-7-9-20-21-17/h3-7,9,18,24H,2,8,10-15H2,1H3,(H,20,21)/p+1/t18-/m0/s1